 Entering Gaussian System, Link 0=g16
 Input=14_bornylOAc_STD_LCPBE_augccpVDZ.in
 Output=14_bornylOAc_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/14_bornylOAc_STD/Gau-22310.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/14_bornylOAc_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     22311.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=14_bornylOAc_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=028500
 0000,3/108=0285000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1)
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=285000000,108=285000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 19:14:03 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "14_bornylOAc_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.240639000000     -1.220521000000     -1.593952000000
  C                                                -0.772379000000     -1.711714000000     -0.196556000000
  C                                                -1.356487000000      0.301932000000     -1.398559000000
  C                                                 0.077396000000      0.849484000000     -1.275021000000
  C                                                 0.495406000000      0.398364000000      0.144405000000
  C                                                -0.704790000000     -0.420476000000      0.653009000000
  H                                                -2.195583000000     -1.663465000000     -1.875848000000
  H                                                -0.528201000000     -1.466626000000     -2.381766000000
  H                                                 0.193323000000     -2.210778000000     -0.227221000000
  H                                                -1.481233000000     -2.413249000000      0.242895000000
  C                                                -1.888350000000      0.419572000000      0.056917000000
  H                                                -1.959508000000      0.805110000000     -2.154682000000
  H                                                 0.128882000000      1.932113000000     -1.369936000000
  H                                                 0.741881000000      0.427523000000     -2.028774000000
  H                                                 0.689863000000      1.251037000000      0.790022000000
  O                                                 1.689332000000     -0.414672000000      0.164040000000
  C                                                -0.691646000000     -0.656663000000      2.148773000000
  C                                                -3.263934000000     -0.215407000000      0.272245000000
  C                                                -1.976808000000      1.860613000000      0.570939000000
  H                                                 0.188258000000     -1.234779000000      2.438218000000
  H                                                -1.573690000000     -1.214726000000      2.468040000000
  H                                                -0.666490000000      0.284659000000      2.701973000000
  H                                                -3.312198000000     -1.262484000000     -0.016360000000
  H                                                -4.016543000000      0.322861000000     -0.308315000000
  H                                                -3.555175000000     -0.148366000000      1.322428000000
  H                                                -1.062281000000      2.434735000000      0.442068000000
  H                                                -2.228382000000      1.873406000000      1.633417000000
  H                                                -2.771733000000      2.392658000000      0.043778000000
  C                                                 2.862479000000      0.235712000000      0.052007000000
  C                                                 4.017566000000     -0.727490000000      0.101407000000
  O                                                 2.958317000000      1.430494000000     -0.072931000000
  H                                                 3.985571000000     -1.302060000000      1.027842000000
  H                                                 4.952347000000     -0.178454000000      0.034385000000
  H                                                 3.942814000000     -1.436137000000     -0.724719000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     34 NQM=       34 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1          16          12          12          12           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           1           1           1           1           0           0           0           0           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12          12
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000
 NucSpn=           1           1           1           1           1           1           1           1           0           0
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000

  Atom        31          32          33          34
 IAtWgt=          16           1           1           1
 AtmWgt=  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1
 AtZEff=   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   8.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 19:14:03 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.240639   -1.220521   -1.593952
      2          6           0       -0.772379   -1.711714   -0.196556
      3          6           0       -1.356487    0.301932   -1.398559
      4          6           0        0.077396    0.849484   -1.275021
      5          6           0        0.495406    0.398364    0.144405
      6          6           0       -0.704790   -0.420476    0.653009
      7          1           0       -2.195583   -1.663465   -1.875848
      8          1           0       -0.528201   -1.466626   -2.381766
      9          1           0        0.193323   -2.210778   -0.227221
     10          1           0       -1.481233   -2.413249    0.242895
     11          6           0       -1.888350    0.419572    0.056917
     12          1           0       -1.959508    0.805110   -2.154682
     13          1           0        0.128882    1.932113   -1.369936
     14          1           0        0.741881    0.427523   -2.028774
     15          1           0        0.689863    1.251037    0.790022
     16          8           0        1.689332   -0.414672    0.164040
     17          6           0       -0.691646   -0.656663    2.148773
     18          6           0       -3.263934   -0.215407    0.272245
     19          6           0       -1.976808    1.860613    0.570939
     20          1           0        0.188258   -1.234779    2.438218
     21          1           0       -1.573690   -1.214726    2.468040
     22          1           0       -0.666490    0.284659    2.701973
     23          1           0       -3.312198   -1.262484   -0.016360
     24          1           0       -4.016543    0.322861   -0.308315
     25          1           0       -3.555175   -0.148366    1.322428
     26          1           0       -1.062281    2.434735    0.442068
     27          1           0       -2.228382    1.873406    1.633417
     28          1           0       -2.771733    2.392658    0.043778
     29          6           0        2.862479    0.235712    0.052007
     30          6           0        4.017566   -0.727490    0.101407
     31          8           0        2.958317    1.430494   -0.072931
     32          1           0        3.985571   -1.302060    1.027842
     33          1           0        4.952347   -0.178454    0.034385
     34          1           0        3.942814   -1.436137   -0.724719
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.553465   0.000000
     3  C    1.539306   2.416767   0.000000
     4  C    2.474642   2.906018   1.539836   0.000000
     5  C    2.942197   2.485148   2.412373   1.546936   0.000000
     6  C    2.444594   1.547134   2.270576   2.437604   1.539366
     7  H    1.089763   2.201785   2.189674   3.441270   3.946389
     8  H    1.090315   2.212427   2.186447   2.637423   3.302650
     9  H    2.214680   1.087468   3.176107   3.236746   2.652731
    10  H    2.203291   1.089836   3.175239   3.921584   3.438309
    11  C    2.415534   2.419095   1.554068   2.413098   2.385455
    12  H    2.221345   3.402637   1.090204   2.219178   3.387897
    13  H    3.444542   3.932756   2.205591   1.088001   2.186311
    14  H    2.614480   3.197865   2.194560   1.089833   2.187306
    15  H    3.939387   3.448098   3.142966   2.191064   1.087054
    16  O    3.510649   2.805774   3.497463   2.503463   1.444601
    17  C    3.824568   2.572979   3.734231   3.818674   2.557277
    18  C    2.930302   2.943901   2.587968   3.833081   3.811259
    19  C    3.836937   3.847235   2.587123   2.941038   2.903781
    20  H    4.277890   2.844701   4.412321   4.259646   2.832503
    21  H    4.075627   2.826512   4.159088   4.582309   3.504639
    22  H    4.588048   3.521106   4.158216   4.085202   2.811420
    23  H    2.604211   2.585529   2.860538   4.187360   4.157176
    24  H    3.426446   3.831003   2.874886   4.239362   4.535233
    25  H    3.874515   3.534872   3.527147   4.575808   4.253688
    26  H    4.187850   4.205345   2.832545   2.600054   2.581046
    27  H    4.578639   4.280401   3.524572   3.850200   3.436848
    28  H    4.252231   4.571766   2.907644   3.498307   3.829038
    29  C    4.654608   4.131155   4.461861   3.145538   2.374453
    30  C    5.546714   4.899087   5.673628   4.461652   3.697973
    31  O    5.193517   4.879226   4.652792   3.175264   2.679264
    32  H    5.847540   4.930016   6.082581   5.020573   3.981602
    33  H    6.487716   5.930996   6.487333   5.151344   4.495458
    34  H    5.260251   4.752678   5.617609   4.524196   4.000674
                    6          7          8          9         10
     6  C    0.000000
     7  H    3.187884   0.000000
     8  H    3.214883   1.753528   0.000000
     9  H    2.187828   2.953709   2.390904   0.000000
    10  H    2.177660   2.358293   2.948425   1.751040   0.000000
    11  C    1.569019   2.858149   3.369707   3.366428   2.867962
    12  H    3.310515   2.495464   2.694623   4.176765   4.041653
    13  H    3.212785   4.311295   3.606520   4.298081   4.906716
    14  H    3.162897   3.608921   2.307707   3.241472   4.262945
    15  H    2.181235   4.891522   4.350817   3.642183   4.294182
    16  O    2.443552   4.562148   3.536268   2.370047   3.748735
    17  C    1.514354   4.412828   4.605273   2.973851   2.709504
    18  C    2.595429   2.802240   4.011678   4.022884   2.830087
    19  C    2.613070   4.295783   4.678402   4.682174   4.314986
    20  H    2.155828   4.947488   4.878454   2.838515   2.999239
    21  H    2.163367   4.411063   4.967607   3.373260   2.529086
    22  H    2.167242   5.204782   5.378710   3.942926   3.740264
    23  H    2.820569   2.205745   3.658888   3.637637   2.178051
    24  H    3.527662   3.117458   4.435087   4.914150   3.770667
    25  H    2.940554   3.791172   4.961999   4.550406   3.255199
    26  H    2.885225   4.842763   4.845606   4.858527   4.870127
    27  H    2.923085   4.982517   5.492552   5.099724   4.568062
    28  H    3.543605   4.524273   5.080430   5.482392   4.980139
    29  C    3.676574   5.736505   4.507540   3.631484   5.091293
    30  C    4.764364   6.587018   5.232253   4.114970   5.753138
    31  O    4.167905   6.275809   5.087222   4.574698   5.880792
    32  H    4.787189   6.838764   5.659209   4.096596   5.633545
    33  H    5.696005   7.546334   6.126465   5.181418   6.813864
    34  H    4.952769   6.249535   4.768303   3.860862   5.595651
                   11         12         13         14         15
    11  C    0.000000
    12  H    2.246080   0.000000
    13  H    2.897053   2.499467   0.000000
    14  H    3.356827   2.730554   1.753176   0.000000
    15  H    2.806414   3.986138   2.333234   2.937089   0.000000
    16  O    3.675221   4.492034   3.208658   2.532862   2.040926
    17  C    2.639364   4.718472   4.444811   4.547786   2.719208
    18  C    1.530293   2.938189   4.338179   4.664183   4.248654
    19  C    1.532528   2.922909   2.864618   4.025360   2.744215
    20  H    3.566479   5.465233   4.953258   4.798308   3.024473
    21  H    2.929753   5.059462   5.247038   5.317912   3.744249
    22  H    2.916756   5.052708   4.463985   4.938004   2.535574
    23  H    2.205000   3.267589   4.886579   4.831303   4.794219
    24  H    2.161470   2.805892   4.571792   5.060981   4.921190
    25  H    2.168497   3.942786   5.014927   5.479680   4.501348
    26  H    2.211699   3.194339   2.225951   3.659093   2.142947
    27  H    2.171315   3.945028   3.818412   4.932006   3.100776
    28  H    2.161853   2.830767   3.259487   4.527992   3.720595
    29  C    4.754388   5.333409   3.517421   2.977142   2.509146
    30  C    6.016442   6.569948   4.935605   4.074535   3.932222
    31  O    4.952677   5.376783   3.152705   3.121516   2.433675
    32  H    6.197553   7.064884   5.575237   4.780783   4.175710
    33  H    6.866824   7.316635   5.449076   4.727775   4.558860
    34  H    6.169042   6.473437   5.129083   3.926800   4.482972
                   16         17         18         19         20
    16  O    0.000000
    17  C    3.109145   0.000000
    18  C    4.958453   3.214456   0.000000
    19  C    4.333944   3.236955   2.460848   0.000000
    20  H    2.845643   1.091892   4.200975   4.213751   0.000000
    21  H    4.073796   1.091498   2.945688   3.635823   1.762314
    22  H    3.532714   1.092131   3.591707   2.956665   1.763194
    23  H    5.076084   3.452841   1.087195   3.447016   4.275385
    24  H    5.772702   4.248728   1.092338   2.701534   5.258330
    25  H    5.377512   3.023410   1.091879   2.663076   4.054451
    26  H    3.970868   3.550627   3.449546   1.087467   4.360481
    27  H    4.768947   3.004729   2.699685   1.091931   4.018540
    28  H    5.272254   4.249250   2.663919   1.092189   5.258630
    29  C    1.346040   4.221915   6.146946   5.131110   3.873991
    30  C    2.349990   5.135504   7.301483   6.546087   4.514602
    31  O    2.251914   4.755462   6.445506   4.995501   4.591598
    32  H    2.608893   4.852771   7.369333   6.764704   4.051330
    33  H    3.274122   6.045989   8.219806   7.242850   5.439741
    34  H    2.628966   5.508426   7.377082   6.898494   4.913391
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.768019   0.000000
    23  H    3.032645   4.096676   0.000000
    24  H    4.004978   4.504015   1.759164   0.000000
    25  H    2.525041   3.230349   1.758593   1.759045   0.000000
    26  H    4.205314   3.144304   4.352208   3.708200   3.696210
    27  H    3.265238   2.470918   3.705432   3.061378   2.438166
    28  H    4.508389   3.992707   3.695373   2.440816   2.950514
    29  C    5.255529   4.413427   6.354203   6.889004   6.553455
    30  C    6.091018   5.452318   7.350206   8.112830   7.692378
    31  O    5.830335   4.706618   6.824565   7.066182   6.845831
    32  H    5.743447   5.192501   7.372202   8.274026   7.634176
    33  H    7.041711   6.237133   8.335490   8.989424   8.604527
    34  H    6.377660   5.995752   7.291579   8.162036   7.878388
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.759032   0.000000
    28  H    1.755742   1.758353   0.000000
    29  C    4.515705   5.576716   6.032978   0.000000
    30  C    5.993377   6.937116   7.472163   1.504800   0.000000
    31  O    4.175995   5.478106   5.811442   1.205113   2.410248
    32  H    6.307740   7.004535   7.764051   2.139704   1.090613
    33  H    6.570442   7.637402   8.140769   2.130585   1.086162
    34  H    6.433974   7.389015   7.767587   2.136704   1.090987
                   31         32         33         34
    31  O    0.000000
    32  H    3.119904   0.000000
    33  H    2.564447   1.784406   0.000000
    34  H    3.100264   1.758202   1.782460   0.000000
 Stoichiometry    C12H20O2
 Framework group  C1[X(C12H20O2)]
 Deg. of freedom    96
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.09D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.240639   -1.220521   -1.593952
      2          6           0       -0.772379   -1.711714   -0.196556
      3          6           0       -1.356487    0.301932   -1.398559
      4          6           0        0.077396    0.849484   -1.275021
      5          6           0        0.495406    0.398364    0.144405
      6          6           0       -0.704790   -0.420476    0.653009
      7          1           0       -2.195583   -1.663465   -1.875848
      8          1           0       -0.528201   -1.466626   -2.381766
      9          1           0        0.193323   -2.210778   -0.227221
     10          1           0       -1.481233   -2.413249    0.242895
     11          6           0       -1.888350    0.419572    0.056917
     12          1           0       -1.959508    0.805110   -2.154682
     13          1           0        0.128882    1.932113   -1.369936
     14          1           0        0.741881    0.427523   -2.028774
     15          1           0        0.689863    1.251037    0.790022
     16          8           0        1.689332   -0.414672    0.164040
     17          6           0       -0.691646   -0.656663    2.148773
     18          6           0       -3.263934   -0.215407    0.272245
     19          6           0       -1.976808    1.860613    0.570939
     20          1           0        0.188258   -1.234779    2.438218
     21          1           0       -1.573690   -1.214726    2.468040
     22          1           0       -0.666490    0.284659    2.701973
     23          1           0       -3.312198   -1.262484   -0.016360
     24          1           0       -4.016543    0.322861   -0.308315
     25          1           0       -3.555175   -0.148366    1.322428
     26          1           0       -1.062281    2.434735    0.442068
     27          1           0       -2.228382    1.873406    1.633417
     28          1           0       -2.771733    2.392658    0.043778
     29          6           0        2.862479    0.235712    0.052007
     30          6           0        4.017566   -0.727490    0.101407
     31          8           0        2.958317    1.430494   -0.072931
     32          1           0        3.985571   -1.302060    1.027842
     33          1           0        4.952347   -0.178454    0.034385
     34          1           0        3.942814   -1.436137   -0.724719
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.2924380           0.4724883           0.4648286
 Leave Link  202 at Fri Jul 16 19:14:04 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     12     13     14     15     20     21
 Centers:      22     23     24     25     26     27     28     32     33     34
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6     11     17     18     19
 Centers:      29     30
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      16     31
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  42 primitive shells out of 552 were deleted.
 There are   530 symmetry adapted cartesian basis functions of A   symmetry.
 There are   502 symmetry adapted basis functions of A   symmetry.
   502 basis functions,   898 primitive gaussians,   530 cartesian basis functions
    54 alpha electrons       54 beta electrons
       nuclear repulsion energy      1014.9172554271 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.285000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.285000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   34 NActive=   34 NUniq=   34 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 16 19:14:07 2021, MaxMem=  5637144576 cpu:              16.5 elap:               2.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   502 RedAO= T EigKep=  1.57D-06  NBF=   502
 NBsUse=   502 1.00D-06 EigRej= -1.00D+00 NBFU=   502
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   530   530   530   530   530 MxSgAt=    34 MxSgA2=    34.
 Leave Link  302 at Fri Jul 16 19:14:08 2021, MaxMem=  5637144576 cpu:              10.4 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 19:14:09 2021, MaxMem=  5637144576 cpu:               2.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "14_bornylOAc_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 19:14:11 2021, MaxMem=  5637144576 cpu:               9.3 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636573402 LenY=  5636291972
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -617.935530353801    
 DIIS: error= 2.78D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -617.935530353801     IErMin= 1 ErrMin= 2.78D-03
 ErrMax= 2.78D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.80D-02 BMatP= 1.80D-02
 IDIUse=3 WtCom= 9.72D-01 WtEn= 2.78D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.438 Goal=   None    Shift=    0.000
 GapD=    0.438 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=2.68D-02 MaxDP=3.91D+00              OVMax= 1.48D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.27D-02    CP:  1.46D+00
 E= -617.951612255056     Delta-E=       -0.016081901256 Rises=F Damp=F
 DIIS: error= 1.95D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -617.951612255056     IErMin= 2 ErrMin= 1.95D-03
 ErrMax= 1.95D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.34D-03 BMatP= 1.80D-02
 IDIUse=3 WtCom= 9.80D-01 WtEn= 1.95D-02
 Coeff-Com:  0.139D+00 0.861D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.136D+00 0.864D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=3.82D-03 MaxDP=5.69D-01 DE=-1.61D-02 OVMax= 1.05D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.25D-03    CP:  1.53D+00  1.13D+00
 E= -617.952071146935     Delta-E=       -0.000458891879 Rises=F Damp=F
 DIIS: error= 1.84D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -617.952071146935     IErMin= 3 ErrMin= 1.84D-03
 ErrMax= 1.84D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.93D-03 BMatP= 2.34D-03
 IDIUse=3 WtCom= 9.82D-01 WtEn= 1.84D-02
 Coeff-Com: -0.268D-01 0.480D+00 0.547D+00
 Coeff-En:   0.000D+00 0.424D+00 0.576D+00
 Coeff:     -0.263D-01 0.479D+00 0.547D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=1.10D-03 MaxDP=1.53D-01 DE=-4.59D-04 OVMax= 5.92D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.86D-04    CP:  1.55D+00  1.17D+00  1.13D+00
 E= -617.953430067306     Delta-E=       -0.001358920370 Rises=F Damp=F
 DIIS: error= 1.77D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -617.953430067306     IErMin= 4 ErrMin= 1.77D-04
 ErrMax= 1.77D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.86D-05 BMatP= 1.93D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.77D-03
 Coeff-Com: -0.860D-02 0.525D-01 0.112D+00 0.844D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.858D-02 0.524D-01 0.112D+00 0.844D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=2.38D-04 MaxDP=3.26D-02 DE=-1.36D-03 OVMax= 9.63D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.30D-05    CP:  1.55D+00  1.17D+00  1.19D+00  1.16D+00
 E= -617.953441146601     Delta-E=       -0.000011079295 Rises=F Damp=F
 DIIS: error= 7.95D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -617.953441146601     IErMin= 5 ErrMin= 7.95D-05
 ErrMax= 7.95D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-05 BMatP= 1.86D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.114D-02-0.367D-01-0.966D-02 0.490D+00 0.557D+00
 Coeff:     -0.114D-02-0.367D-01-0.966D-02 0.490D+00 0.557D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=4.97D-05 MaxDP=6.88D-03 DE=-1.11D-05 OVMax= 6.02D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.48D-05    CP:  1.55D+00  1.18D+00  1.21D+00  1.18D+00  1.15D+00
 E= -617.953448918355     Delta-E=       -0.000007771754 Rises=F Damp=F
 DIIS: error= 1.81D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -617.953448918355     IErMin= 6 ErrMin= 1.81D-05
 ErrMax= 1.81D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.59D-07 BMatP= 1.08D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.488D-03-0.219D-01-0.170D-01 0.117D+00 0.239D+00 0.683D+00
 Coeff:      0.488D-03-0.219D-01-0.170D-01 0.117D+00 0.239D+00 0.683D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.45D-05 MaxDP=1.73D-03 DE=-7.77D-06 OVMax= 1.79D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.02D-05    CP:  1.55D+00  1.18D+00  1.22D+00  1.19D+00  1.19D+00
                    CP:  1.21D+00
 E= -617.953449391801     Delta-E=       -0.000000473446 Rises=F Damp=F
 DIIS: error= 4.68D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -617.953449391801     IErMin= 7 ErrMin= 4.68D-06
 ErrMax= 4.68D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.72D-08 BMatP= 5.59D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.358D-03-0.420D-02-0.536D-02-0.792D-02 0.265D-01 0.260D+00
 Coeff-Com:  0.731D+00
 Coeff:      0.358D-03-0.420D-02-0.536D-02-0.792D-02 0.265D-01 0.260D+00
 Coeff:      0.731D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=6.65D-06 MaxDP=8.55D-04 DE=-4.73D-07 OVMax= 5.31D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.67D-06    CP:  1.55D+00  1.18D+00  1.22D+00  1.20D+00  1.23D+00
                    CP:  1.25D+00  1.07D+00
 E= -617.953449442974     Delta-E=       -0.000000051173 Rises=F Damp=F
 DIIS: error= 1.37D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -617.953449442974     IErMin= 8 ErrMin= 1.37D-06
 ErrMax= 1.37D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.74D-09 BMatP= 4.72D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.406D-04 0.658D-03-0.207D-04-0.111D-01-0.143D-01 0.170D-01
 Coeff-Com:  0.195D+00 0.812D+00
 Coeff:      0.406D-04 0.658D-03-0.207D-04-0.111D-01-0.143D-01 0.170D-01
 Coeff:      0.195D+00 0.812D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=2.57D-06 MaxDP=2.91D-04 DE=-5.12D-08 OVMax= 1.83D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.30D-06    CP:  1.55D+00  1.18D+00  1.22D+00  1.20D+00  1.23D+00
                    CP:  1.27D+00  1.12D+00  1.20D+00
 E= -617.953449446496     Delta-E=       -0.000000003522 Rises=F Damp=F
 DIIS: error= 5.72D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -617.953449446496     IErMin= 9 ErrMin= 5.72D-07
 ErrMax= 5.72D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.41D-10 BMatP= 2.74D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.245D-04 0.830D-03 0.668D-03-0.420D-02-0.109D-01-0.258D-01
 Coeff-Com: -0.872D-02 0.365D+00 0.683D+00
 Coeff:     -0.245D-04 0.830D-03 0.668D-03-0.420D-02-0.109D-01-0.258D-01
 Coeff:     -0.872D-02 0.365D+00 0.683D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=7.44D-07 MaxDP=8.41D-05 DE=-3.52D-09 OVMax= 7.29D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.19D-07    CP:  1.55D+00  1.18D+00  1.22D+00  1.20D+00  1.23D+00
                    CP:  1.28D+00  1.14D+00  1.28D+00  1.07D+00
 E= -617.953449447446     Delta-E=       -0.000000000950 Rises=F Damp=F
 DIIS: error= 9.22D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -617.953449447446     IErMin=10 ErrMin= 9.22D-08
 ErrMax= 9.22D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.69D-11 BMatP= 6.41D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.707D-05 0.598D-04 0.980D-04 0.387D-03-0.453D-03-0.351D-02
 Coeff-Com: -0.178D-01-0.157D-01 0.671D-01 0.970D+00
 Coeff:     -0.707D-05 0.598D-04 0.980D-04 0.387D-03-0.453D-03-0.351D-02
 Coeff:     -0.178D-01-0.157D-01 0.671D-01 0.970D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=2.51D-07 MaxDP=3.56D-05 DE=-9.50D-10 OVMax= 2.80D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.82D-08    CP:  1.55D+00  1.18D+00  1.22D+00  1.20D+00  1.23D+00
                    CP:  1.28D+00  1.14D+00  1.31D+00  1.15D+00  1.11D+00
 E= -617.953449447389     Delta-E=        0.000000000057 Rises=F Damp=F
 DIIS: error= 4.38D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -617.953449447446     IErMin=11 ErrMin= 4.38D-08
 ErrMax= 4.38D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.17D-12 BMatP= 1.69D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.618D-06-0.631D-04-0.366D-04 0.535D-03 0.855D-03 0.171D-02
 Coeff-Com: -0.486D-02-0.390D-01-0.452D-01 0.304D+00 0.782D+00
 Coeff:      0.618D-06-0.631D-04-0.366D-04 0.535D-03 0.855D-03 0.171D-02
 Coeff:     -0.486D-02-0.390D-01-0.452D-01 0.304D+00 0.782D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=8.03D-08 MaxDP=1.31D-05 DE= 5.71D-11 OVMax= 8.29D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.55D-08    CP:  1.55D+00  1.18D+00  1.22D+00  1.20D+00  1.23D+00
                    CP:  1.28D+00  1.14D+00  1.31D+00  1.16D+00  1.15D+00
                    CP:  1.04D+00
 E= -617.953449447377     Delta-E=        0.000000000012 Rises=F Damp=F
 DIIS: error= 1.58D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -617.953449447446     IErMin=12 ErrMin= 1.58D-08
 ErrMax= 1.58D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.45D-13 BMatP= 3.17D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.824D-06-0.253D-04-0.217D-04 0.125D-03 0.283D-03 0.933D-03
 Coeff-Com:  0.176D-03-0.106D-01-0.206D-01-0.101D-01 0.249D+00 0.791D+00
 Coeff:      0.824D-06-0.253D-04-0.217D-04 0.125D-03 0.283D-03 0.933D-03
 Coeff:      0.176D-03-0.106D-01-0.206D-01-0.101D-01 0.249D+00 0.791D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.69D-08 MaxDP=2.01D-06 DE= 1.23D-11 OVMax= 2.84D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.73D-09    CP:  1.55D+00  1.18D+00  1.22D+00  1.20D+00  1.23D+00
                    CP:  1.28D+00  1.14D+00  1.31D+00  1.16D+00  1.15D+00
                    CP:  1.10D+00  1.05D+00
 E= -617.953449447408     Delta-E=       -0.000000000031 Rises=F Damp=F
 DIIS: error= 3.80D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=10 EnMin= -617.953449447446     IErMin=13 ErrMin= 3.80D-09
 ErrMax= 3.80D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.32D-14 BMatP= 3.45D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.937D-07 0.256D-05-0.104D-06-0.353D-04-0.502D-04-0.940D-05
 Coeff-Com:  0.549D-03 0.255D-02 0.197D-02-0.365D-01-0.504D-01 0.119D+00
 Coeff-Com:  0.963D+00
 Coeff:      0.937D-07 0.256D-05-0.104D-06-0.353D-04-0.502D-04-0.940D-05
 Coeff:      0.549D-03 0.255D-02 0.197D-02-0.365D-01-0.504D-01 0.119D+00
 Coeff:      0.963D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=7.78D-09 MaxDP=1.01D-06 DE=-3.12D-11 OVMax= 1.17D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  3.70D-09    CP:  1.55D+00  1.18D+00  1.22D+00  1.20D+00  1.23D+00
                    CP:  1.28D+00  1.14D+00  1.31D+00  1.15D+00  1.14D+00
                    CP:  1.11D+00  1.09D+00  1.13D+00
 E= -617.953449447328     Delta-E=        0.000000000080 Rises=F Damp=F
 DIIS: error= 1.13D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=10 EnMin= -617.953449447446     IErMin=14 ErrMin= 1.13D-09
 ErrMax= 1.13D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.83D-15 BMatP= 2.32D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.293D-07 0.260D-05 0.155D-05-0.193D-04-0.373D-04-0.654D-04
 Coeff-Com:  0.132D-03 0.156D-02 0.214D-02-0.959D-02-0.338D-01-0.255D-01
 Coeff-Com:  0.284D+00 0.781D+00
 Coeff:     -0.293D-07 0.260D-05 0.155D-05-0.193D-04-0.373D-04-0.654D-04
 Coeff:      0.132D-03 0.156D-02 0.214D-02-0.959D-02-0.338D-01-0.255D-01
 Coeff:      0.284D+00 0.781D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=2.41D-09 MaxDP=2.30D-07 DE= 7.96D-11 OVMax= 2.67D-08

 SCF Done:  E(RLC-PBE+HF-PBE) =  -617.953449447     A.U. after   14 cycles
            NFock= 14  Conv=0.24D-08     -V/T= 2.0052
 KE= 6.147827994902D+02 PE=-3.469731982801D+03 EE= 1.222078478436D+03
 Leave Link  502 at Fri Jul 16 19:44:33 2021, MaxMem=  5637144576 cpu:           14488.2 elap:            1821.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   502
 NBasis=   502 NAE=    54 NBE=    54 NFC=     0 NFV=     0
 NROrb=    502 NOA=    54 NOB=    54 NVA=   448 NVB=   448

 **** Warning!!: The largest alpha MO coefficient is  0.13583263D+03

 Leave Link  801 at Fri Jul 16 19:44:33 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10525 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          34
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.03D-13 8.33D-09 XBig12= 1.00D+00 1.19D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.03D-13 8.33D-09 XBig12= 2.25D-01 3.85D-02.
     11 vectors produced by pass  2 Test12= 4.03D-13 8.33D-09 XBig12= 5.21D-02 2.03D-02.
     11 vectors produced by pass  3 Test12= 4.03D-13 8.33D-09 XBig12= 3.88D-03 5.72D-03.
     11 vectors produced by pass  4 Test12= 4.03D-13 8.33D-09 XBig12= 5.32D-04 1.79D-03.
     11 vectors produced by pass  5 Test12= 4.03D-13 8.33D-09 XBig12= 7.45D-05 7.45D-04.
     11 vectors produced by pass  6 Test12= 4.03D-13 8.33D-09 XBig12= 6.95D-06 1.75D-04.
     11 vectors produced by pass  7 Test12= 4.03D-13 8.33D-09 XBig12= 3.48D-07 4.90D-05.
     11 vectors produced by pass  8 Test12= 4.03D-13 8.33D-09 XBig12= 9.91D-09 8.39D-06.
     11 vectors produced by pass  9 Test12= 4.03D-13 8.33D-09 XBig12= 2.18D-10 1.07D-06.
     10 vectors produced by pass 10 Test12= 4.03D-13 8.33D-09 XBig12= 5.03D-12 1.58D-07.
      3 vectors produced by pass 11 Test12= 4.03D-13 8.33D-09 XBig12= 1.57D-13 2.85D-08.
      2 vectors produced by pass 12 Test12= 4.03D-13 8.33D-09 XBig12= 4.45D-14 1.38D-08.
      1 vectors produced by pass 13 Test12= 4.03D-13 8.33D-09 XBig12= 2.22D-14 9.01D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   126 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.167594D+03
      2 -0.211197D+01  0.140485D+03
      3 -0.774082D+00 -0.456713D+00  0.134301D+03
 Isotropic polarizability for W=    0.085645      147.46 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.378341D+01  0.400837D+01 -0.625667D+00
      2   0.720108D+01  0.488326D+01 -0.118457D+02
      3  -0.341767D+01 -0.889163D+01  0.124714D+02
      4  -0.106324D+02 -0.507559D+02 -0.137277D+02
      5   0.808840D+01 -0.128093D+02 -0.103574D+03
      6  -0.574345D+01  0.192322D+01 -0.331744D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.273591D+00  0.123141D+01  0.807495D+01
      2  -0.897198D+00 -0.458085D+01 -0.494501D+02
      3  -0.405852D+01  0.223530D+02  0.372475D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.918475D+00  0.137689D+02  0.242828D+02
      2  -0.871407D+01 -0.798428D+01 -0.100156D+03
      3  -0.146407D+02  0.579570D+02  0.706580D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.198434D+00  0.548305D+00  0.201152D+00
      2   0.548305D+00 -0.270492D+00  0.149932D+01
      3   0.201152D+00  0.149932D+01 -0.660772D+00
 OR G Eigenvalues:    -2.0036    -0.3789     1.2527  Iso=     0.3766
 Eigenvectors:
   (1)   0.122407  -0.671205   0.731096
   (2)   0.927101  -0.185609  -0.325628
   (3)   0.354261   0.717658   0.599554
 w=    0.085645 a.u., Optical Rotation Beta=      0.3766 au.
 Molar Mass =    196.2888 grams/mole, [Alpha] ( 5320.0 A) =       90.99 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  126253 ScalPx= 2.45D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  126253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.66D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.72D-14 2.78D-09 XBig12= 1.00D+00 2.75D-01.
     30 vectors produced by pass  1 Test12= 6.72D-14 2.78D-09 XBig12= 4.81D-02 2.21D-02.
     30 vectors produced by pass  2 Test12= 6.72D-14 2.78D-09 XBig12= 3.04D-03 7.34D-03.
     30 vectors produced by pass  3 Test12= 6.72D-14 2.78D-09 XBig12= 6.58D-05 9.79D-04.
     30 vectors produced by pass  4 Test12= 6.72D-14 2.78D-09 XBig12= 1.67D-06 8.71D-05.
     30 vectors produced by pass  5 Test12= 6.72D-14 2.78D-09 XBig12= 3.47D-08 1.36D-05.
     30 vectors produced by pass  6 Test12= 6.72D-14 2.78D-09 XBig12= 4.15D-10 1.58D-06.
     30 vectors produced by pass  7 Test12= 6.72D-14 2.78D-09 XBig12= 5.02D-12 1.71D-07.
     23 vectors produced by pass  8 Test12= 6.72D-14 2.78D-09 XBig12= 6.51D-14 1.76D-08.
     12 vectors produced by pass  9 Test12= 6.72D-14 2.78D-09 XBig12= 8.08D-15 7.27D-09.
      2 vectors produced by pass 10 Test12= 6.72D-14 2.78D-09 XBig12= 2.22D-15 3.68D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   277 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  126253 ScalPx= 8.80D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  126253 ScalPx= 8.80D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  126253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.60D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.167594D+03 -0.211197D+01 -0.774082D+00
      2  -0.211197D+01  0.140485D+03 -0.456713D+00
      3  -0.774082D+00 -0.456713D+00  0.134301D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.273591D+00  0.123141D+01  0.807495D+01
      2  -0.897198D+00 -0.458085D+01 -0.494501D+02
      3  -0.405852D+01  0.223530D+02  0.372475D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.378341D+01  0.400837D+01 -0.625667D+00
      2   0.720108D+01  0.488326D+01 -0.118457D+02
      3  -0.341767D+01 -0.889163D+01  0.124714D+02
      4  -0.106324D+02 -0.507559D+02 -0.137277D+02
      5   0.808840D+01 -0.128093D+02 -0.103574D+03
      6  -0.574345D+01  0.192322D+01 -0.331744D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   102 ND12= 1 LenFil=    3675:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.274493D+01  0.290315D+01  0.332124D+01  0.230470D+01  0.725795D+00
      2   0.290315D+01  0.867404D+00  0.252853D+00  0.725795D+00 -0.277408D+01
      3   0.332124D+01  0.252853D+00 -0.338998D+01  0.613550D+00  0.899273D-01
                 6             7             8             9            10 
      1   0.613550D+00  0.187330D+01  0.457344D+00 -0.289474D+01 -0.246308D+01
      2   0.899273D-01  0.457344D+00  0.600539D-01  0.261362D+01  0.394906D+01
      3   0.236980D+01 -0.289474D+01  0.261362D+01  0.667374D+00 -0.129318D+01
                11            12            13            14            15 
      1   0.394906D+01 -0.129318D+01  0.339812D+01  0.892050D-01 -0.135388D+01
      2   0.169088D-01 -0.137544D+01  0.892050D-01  0.588312D+00 -0.288359D+01
      3  -0.137544D+01  0.182187D+01 -0.135388D+01 -0.288359D+01 -0.245132D+01
                16            17            18            19            20 
      1  -0.723005D+00 -0.161335D+01  0.129708D+01 -0.834365D+00 -0.335124D+01
      2  -0.161335D+01 -0.259200D+01 -0.135176D+01 -0.335124D+01  0.513954D+00
      3   0.129708D+01 -0.135176D+01  0.166120D+01  0.387695D+00 -0.121028D+01
                21            22            23            24            25 
      1   0.387695D+00 -0.373180D+01  0.499077D+00 -0.150167D+01 -0.320741D+00
      2  -0.121028D+01  0.499077D+00  0.320076D+01  0.201599D+01 -0.122173D+01
      3   0.453740D+01 -0.150167D+01  0.201599D+01 -0.238858D+01  0.551703D+01
                26            27            28            29            30 
      1  -0.122173D+01  0.551703D+01  0.622640D+00  0.174746D+01  0.141139D+01
      2   0.834728D+00 -0.330151D+01  0.174746D+01 -0.286850D+00  0.612961D-01
      3  -0.330151D+01 -0.916369D+00  0.141139D+01  0.612961D-01 -0.332016D+01
                31            32            33            34            35 
      1   0.247559D+01 -0.873513D+00 -0.187262D+00 -0.361706D-02  0.333894D+00
      2  -0.873513D+00 -0.481153D+01  0.118040D+01  0.333894D+00  0.453323D+00
      3  -0.187262D+00  0.118040D+01  0.221496D+01 -0.351519D+01  0.171315D+01
                36            37            38            39            40 
      1  -0.351519D+01 -0.545495D+01  0.124226D+01 -0.121669D+01  0.190333D+01
      2   0.171315D+01  0.124226D+01  0.605485D+00 -0.977139D+00 -0.202316D+00
      3  -0.173183D+00 -0.121669D+01 -0.977139D+00  0.287897D+01 -0.993806D+00
                41            42            43            44            45 
      1  -0.202316D+00 -0.993806D+00  0.546760D+00 -0.691543D+00  0.123332D+01
      2  -0.906153D+00 -0.229254D+01 -0.691543D+00 -0.155037D+01 -0.158260D+01
      3  -0.229254D+01 -0.261550D+01  0.123332D+01 -0.158260D+01  0.123399D+01
                46            47            48            49            50 
      1   0.221125D+01 -0.425654D+01  0.290174D+01 -0.576913D+01  0.956525D+00
      2  -0.425654D+01  0.116668D+01  0.525194D+00  0.956525D+00  0.280935D+00
      3   0.290174D+01  0.525194D+00  0.516199D+00  0.487521D+00  0.349029D+01
                51            52            53            54            55 
      1   0.487521D+00  0.330358D+01 -0.683769D-01 -0.270631D-01 -0.558772D+01
      2   0.349029D+01 -0.683769D-01  0.409404D+01  0.156928D+01 -0.262028D+01
      3   0.128905D+01 -0.270631D-01  0.156928D+01 -0.305124D+01 -0.265590D+01
                56            57            58            59            60 
      1  -0.262028D+01 -0.265590D+01 -0.216021D+01 -0.189341D+01 -0.108792D+01
      2  -0.260182D+01 -0.156398D+01 -0.189341D+01 -0.205337D+01 -0.123353D+01
      3  -0.156398D+01 -0.243327D+01 -0.108792D+01 -0.123353D+01 -0.149237D+01
                61            62            63            64            65 
      1  -0.164150D+01 -0.920968D+00 -0.142013D+01  0.191671D+01 -0.117709D+01
      2  -0.920968D+00 -0.909636D+00 -0.127798D+01 -0.117709D+01  0.144354D+01
      3  -0.142013D+01 -0.127798D+01 -0.198816D+01 -0.235691D+01  0.132152D+01
                66            67            68            69            70 
      1  -0.235691D+01 -0.686629D+00  0.620338D+00  0.365514D+00 -0.181630D+01
      2   0.132152D+01  0.620338D+00 -0.107642D+01 -0.139375D+01  0.591922D+00
      3   0.380367D+01  0.365514D+00 -0.139375D+01 -0.160086D+01  0.206821D+01
                71            72            73            74            75 
      1   0.591922D+00  0.206821D+01  0.535517D+01 -0.276290D+01  0.285701D+00
      2  -0.175517D+01 -0.227940D+01 -0.276290D+01  0.349404D+01  0.266002D+00
      3  -0.227940D+01 -0.623785D+01  0.285701D+00  0.266002D+00  0.961301D+00
                76            77            78            79            80 
      1  -0.210669D+01  0.205200D+01  0.216571D+00  0.135726D+00  0.217304D+00
      2   0.205200D+01 -0.323090D+01  0.220135D+00  0.217304D+00  0.219715D+00
      3   0.216571D+00  0.220135D+00 -0.435383D+00  0.590051D+00 -0.571045D+00
                81            82            83            84            85 
      1   0.590051D+00 -0.245816D+01 -0.224731D+01  0.837741D+00 -0.210385D+01
      2  -0.571045D+00 -0.224731D+01 -0.309795D+01  0.919007D+00 -0.205872D+01
      3  -0.143523D+00  0.837741D+00  0.919007D+00 -0.145235D+01  0.622928D+00
                86            87            88            89            90 
      1  -0.205872D+01  0.622928D+00  0.100631D+01  0.101860D+01 -0.988672D+00
      2  -0.507508D+01  0.158720D+01  0.101860D+01  0.231569D+01 -0.124149D+01
      3   0.158720D+01 -0.115568D+01 -0.988672D+00 -0.124149D+01  0.129127D+01
                91            92            93            94            95 
      1  -0.156272D+01  0.524336D+01 -0.202349D+01  0.628434D+01 -0.660382D+00
      2   0.524336D+01 -0.147528D+01  0.853567D+00 -0.660382D+00 -0.312567D+01
      3  -0.202349D+01  0.853567D+00 -0.435534D+01  0.100333D+01 -0.320600D+01
                96            97            98            99           100 
      1   0.100333D+01 -0.149568D+01  0.652033D+00 -0.390030D+01 -0.328037D+01
      2  -0.320600D+01  0.652033D+00 -0.268032D+01  0.103091D+01  0.175886D+01
      3   0.144101D+01 -0.390030D+01  0.103091D+01  0.429226D+01 -0.267497D+01
               101           102           103           104           105 
      1   0.175886D+01 -0.267497D+01  0.197402D+01 -0.138143D+01  0.127839D+01
      2  -0.142299D+01  0.125877D+01 -0.138143D+01  0.193362D+01 -0.221706D+01
      3   0.125877D+01 -0.336145D+01  0.127839D+01 -0.221706D+01  0.255309D+01
               106           107           108           109           110 
      1  -0.215860D+01  0.870955D+00 -0.292180D+01  0.339222D+00  0.872083D+00
      2   0.870955D+00 -0.180135D+01  0.213836D+01  0.872083D+00  0.435701D+00
      3  -0.292180D+01  0.213836D+01 -0.556344D+01 -0.267109D+00 -0.130213D+00
               111           112           113           114           115 
      1  -0.267109D+00  0.162199D+01  0.843335D+00 -0.244693D+00 -0.255527D-01
      2  -0.130213D+00  0.843335D+00  0.767014D+01 -0.203783D+01 -0.128610D+00
      3   0.322771D+00 -0.244693D+00 -0.203783D+01  0.181477D+01  0.408158D+00
               116           117           118           119           120 
      1  -0.128610D+00  0.408158D+00  0.343713D+01 -0.495298D+00 -0.219470D+01
      2  -0.105521D+01  0.108676D+01 -0.495298D+00  0.599816D+00  0.111602D+00
      3   0.108676D+01 -0.853372D+00 -0.219470D+01  0.111602D+00  0.288591D+01
               121           122           123           124           125 
      1  -0.169789D+01  0.525493D+00  0.785759D+00 -0.279169D+01  0.272252D-01
      2   0.525493D+00 -0.642679D-01 -0.938381D+00  0.272252D-01 -0.995833D+00
      3   0.785759D+00 -0.938381D+00 -0.168296D+01  0.253819D+01 -0.396166D+00
               126           127           128           129           130 
      1   0.253819D+01  0.206649D+01  0.791487D+00  0.964678D+00  0.249923D+01
      2  -0.396166D+00  0.791487D+00  0.208246D+00  0.326068D+00  0.556763D-01
      3  -0.464735D+01  0.964678D+00  0.326068D+00  0.312645D+00  0.399280D+00
               131           132           133           134           135 
      1   0.556763D-01  0.399280D+00  0.153632D+01  0.397719D+00  0.173429D+00
      2   0.308392D+01  0.166064D+01  0.397719D+00  0.179505D+01  0.157376D+01
      3   0.166064D+01  0.215387D+01  0.173429D+00  0.157376D+01  0.240397D+01
               136           137           138           139           140 
      1  -0.404883D+00 -0.215965D+01  0.598586D+00 -0.533976D+01  0.233853D+00
      2  -0.215965D+01 -0.128469D+01 -0.210803D+00  0.233853D+00 -0.200720D+01
      3   0.598586D+00 -0.210803D+00 -0.165877D+01 -0.170621D-02  0.625038D+00
               141           142           143           144           145 
      1  -0.170621D-02  0.625018D+00 -0.183934D+00 -0.625906D+00 -0.139426D+00
      2   0.625038D+00 -0.183934D+00  0.201381D+00 -0.703371D+00  0.440094D+01
      3  -0.424517D+00 -0.625906D+00 -0.703371D+00  0.431470D+00 -0.322589D+01
               146           147           148           149           150 
      1   0.440094D+01 -0.322589D+01  0.456281D+01 -0.238291D+00 -0.216863D+00
      2  -0.283877D+00 -0.181205D+00 -0.238291D+00 -0.127290D+01 -0.398154D+01
      3  -0.181205D+00 -0.203490D+00 -0.216863D+00 -0.398154D+01 -0.150701D+01
               151           152           153           154           155 
      1  -0.302234D+01 -0.147549D-01  0.343560D-01  0.427532D+00 -0.370084D+01
      2  -0.147549D-01 -0.333724D+01 -0.148710D+01 -0.370084D+01  0.670588D+00
      3   0.343560D-01 -0.148710D+01  0.201423D+01  0.195832D+01 -0.703072D+00
               156           157           158           159           160 
      1   0.195832D+01 -0.432983D+01  0.109198D+01 -0.889718D+00  0.222574D+01
      2  -0.703072D+00  0.109198D+01  0.415602D+01  0.219575D+01 -0.841501D+00
      3   0.298062D+01 -0.889718D+00  0.219575D+01 -0.758667D+00  0.396881D+01
               161           162           163           164           165 
      1  -0.841501D+00  0.396881D+01 -0.151339D+00 -0.485576D+01  0.158773D+01
      2   0.222775D+01 -0.659705D+00 -0.485576D+01  0.410440D+00 -0.953486D+00
      3  -0.659705D+00 -0.448422D+01  0.158773D+01 -0.953486D+00  0.235080D+01
               166           167           168           169           170 
      1  -0.474164D+01  0.341663D-01 -0.101146D+01  0.181746D+01 -0.109609D+01
      2   0.341663D-01  0.174165D+01  0.254878D+01 -0.109609D+01  0.269355D+01
      3  -0.101146D+01  0.254878D+01 -0.505338D+00  0.286927D+01 -0.129929D+01
               171           172           173           174           175 
      1   0.286927D+01  0.443116D+01 -0.225205D+01  0.233492D+01 -0.249182D+01
      2  -0.129929D+01 -0.225205D+01  0.205787D+01 -0.139648D+01  0.159412D+01
      3  -0.518524D+01  0.233492D+01 -0.139648D+01  0.306392D+01 -0.109816D+01
               176           177           178           179           180 
      1   0.159412D+01 -0.109816D+01  0.133470D+01 -0.669629D+00  0.151178D+01
      2  -0.223609D+01  0.194298D+01 -0.669629D+00  0.108973D+01 -0.955038D+00
      3   0.194298D+01 -0.187250D+01  0.151178D+01 -0.955038D+00  0.178383D+01
               181           182           183           184           185 
      1  -0.408979D+01 -0.214429D+01  0.221648D+01 -0.236524D+01 -0.149510D+01
      2  -0.214429D+01 -0.193636D+01  0.135140D+01 -0.149510D+01 -0.213308D+01
      3   0.221648D+01  0.135140D+01 -0.305266D+01  0.107023D+01  0.184538D+01
               186           187           188           189           190 
      1   0.107023D+01  0.154502D+01  0.716361D+00 -0.155135D+01  0.166859D+00
      2   0.184538D+01  0.716361D+00  0.110348D+01 -0.924046D+00  0.174714D+00
      3  -0.195406D+01 -0.155135D+01 -0.924046D+00  0.194724D+01  0.970622D+00
               191           192           193           194           195 
      1   0.174714D+00  0.970622D+00  0.817860D+00  0.320279D-01  0.204581D+00
      2   0.110732D+00  0.141240D+00  0.320279D-01  0.384659D+01  0.257065D+01
      3   0.141240D+00  0.249405D+00  0.204581D+00  0.257065D+01  0.444260D+01
               196           197           198           199           200 
      1   0.869219D+00  0.519649D-01  0.626493D-01 -0.408346D+00 -0.904805D+00
      2   0.519649D-01  0.197124D+01  0.209359D+01 -0.904805D+00 -0.905833D+00
      3   0.626493D-01  0.209359D+01  0.388064D+01 -0.551137D+00 -0.941447D-02
               201           202           203           204           205 
      1  -0.551137D+00 -0.254458D+01 -0.168683D+01  0.906142D-01 -0.108803D+01
      2  -0.941447D-02 -0.168683D+01 -0.592222D+01 -0.105436D+01 -0.124436D+00
      3  -0.329288D+00  0.906142D-01 -0.105436D+01 -0.117631D+01 -0.544108D+00
               206           207           208           209           210 
      1  -0.124436D+00 -0.544108D+00 -0.707789D+01  0.184734D+01 -0.196552D+01
      2  -0.118338D+01 -0.796472D+00  0.184734D+01 -0.127029D+01  0.501816D+00
      3  -0.796472D+00 -0.226036D+00 -0.196552D+01  0.501816D+00 -0.160462D+01
               211           212           213           214           215 
      1   0.401041D+01 -0.176963D+01  0.883654D+00 -0.403551D+01  0.915640D+00
      2  -0.176963D+01  0.125669D+01 -0.839178D+00  0.915640D+00 -0.117286D+01
      3   0.883654D+00 -0.839178D+00  0.103229D+01 -0.230908D+01  0.681672D+00
               216           217           218           219           220 
      1  -0.230908D+01 -0.231037D+01  0.230747D+00  0.160142D+01  0.743216D+00
      2   0.681672D+00  0.230747D+00 -0.399578D+00  0.127947D+00 -0.661248D+00
      3  -0.131624D+01  0.160142D+01  0.127947D+00 -0.186826D+01 -0.415577D-01
               221           222           223           224           225 
      1  -0.661248D+00 -0.415577D-01  0.379997D+01  0.231558D+00 -0.343653D+01
      2  -0.251505D+00  0.591357D+00  0.231558D+00  0.978235D+00 -0.378915D-01
      3   0.591357D+00  0.279841D+00 -0.343653D+01 -0.378915D-01  0.638328D+01
               226           227           228           229           230 
      1   0.408635D+01  0.172748D+01 -0.498152D+00  0.206477D+01  0.169343D+01
      2   0.172748D+01  0.311641D+01  0.402520D+00  0.169343D+01  0.338693D+01
      3  -0.498152D+00  0.402520D+00  0.778005D+00  0.886509D-01 -0.129564D+00
               231           232           233           234           235 
      1   0.886509D-01 -0.588568D+00  0.188213D+00  0.319984D+00 -0.114342D+01
      2  -0.129564D+00  0.188213D+00 -0.595594D+00  0.573051D+00  0.952460D+00
      3   0.648307D+00  0.319984D+00  0.573051D+00  0.322777D+00  0.109966D+01
               236           237           238           239           240 
      1   0.952460D+00  0.109966D+01  0.382789D+00 -0.293780D+00 -0.513932D-01
      2  -0.657839D+00 -0.394220D+00 -0.293780D+00  0.390216D+00  0.800907D+00
      3  -0.394220D+00 -0.153752D+01 -0.513932D-01  0.800907D+00  0.519817D+00
               241           242           243           244           245 
      1   0.177592D+01 -0.844059D+00 -0.212593D+01 -0.477953D+01  0.356006D+01
      2  -0.844059D+00  0.225784D+01  0.214332D+01  0.356006D+01 -0.364191D+01
      3  -0.212593D+01  0.214332D+01  0.725232D+01 -0.112379D+01  0.725419D+00
               246           247           248           249           250 
      1  -0.112379D+01  0.268754D+01 -0.251250D+01  0.655822D+00 -0.230747D+01
      2   0.725419D+00 -0.251250D+01  0.373002D+01 -0.109259D+01  0.163854D+01
      3  -0.139217D+01  0.655822D+00 -0.109259D+01  0.764707D+00 -0.142809D+01
               251           252           253           254           255 
      1   0.163854D+01 -0.142809D+01  0.461562D+01  0.198960D+01 -0.433951D+00
      2  -0.258948D+01  0.125248D+01  0.198960D+01  0.100424D+01 -0.104696D+00
      3   0.125248D+01 -0.810771D+00 -0.433951D+00 -0.104696D+00  0.744902D+00
               256           257           258           259           260 
      1  -0.198484D+01 -0.210320D+01 -0.116777D+00 -0.141154D+00  0.222724D+00
      2  -0.210320D+01 -0.495945D+01  0.318230D+00  0.222724D+00  0.442960D+00
      3  -0.116777D+00  0.318230D+00 -0.410998D+00  0.987044D+00 -0.741973D+00
               261           262           263           264           265 
      1   0.987044D+00 -0.217466D+01 -0.407591D+01  0.357801D+00 -0.530960D+01
      2  -0.741973D+00 -0.407591D+01  0.571946D-01  0.194651D+00 -0.128589D+01
      3   0.382791D+00  0.357801D+00  0.194651D+00  0.353262D+00  0.185904D+00
               266           267           268           269           270 
      1  -0.128589D+01  0.185904D+00  0.617116D+00  0.219480D+00 -0.102448D+01
      2   0.293375D+01  0.395946D+00  0.219480D+00  0.542102D+00  0.437296D+01
      3   0.395946D+00  0.381170D+01 -0.102448D+01  0.437296D+01 -0.102002D+01
               271           272           273           274           275 
      1   0.132135D+01  0.213890D+01 -0.251099D+00  0.875410D+01  0.356387D+01
      2   0.213890D+01  0.123404D+01  0.973967D-02  0.356387D+01  0.102799D+02
      3  -0.251099D+00  0.973967D-02  0.913537D-01  0.897403D-01 -0.483996D+00
               276           277           278           279           280 
      1   0.897403D-01 -0.620658D+00 -0.150396D+00  0.118032D+01  0.900686D+00
      2  -0.483996D+00 -0.150396D+00 -0.614136D+00  0.244292D+01 -0.793199D-01
      3   0.183143D+01  0.118032D+01  0.244292D+01 -0.628124D+00  0.775095D+00
               281           282           283           284           285 
      1  -0.793199D-01  0.775095D+00 -0.159206D+01  0.143637D+01 -0.601950D+00
      2  -0.332735D-01 -0.927604D-01  0.143637D+01 -0.344642D+01  0.179229D+01
      3  -0.927604D-01  0.145217D+00 -0.601950D+00  0.179229D+01 -0.255452D+01
               286           287           288           289           290 
      1   0.276672D+01 -0.115346D+01  0.159603D+01  0.896365D+01  0.169129D+01
      2  -0.115346D+01  0.263980D+01 -0.282235D+01  0.169129D+01  0.145645D+01
      3   0.159603D+01 -0.282235D+01  0.481887D+01 -0.205462D+00 -0.538466D-01
               291           292           293           294           295 
      1  -0.205462D+00  0.435413D+01  0.149234D+01 -0.662137D-01 -0.539072D+00
      2  -0.538466D-01  0.149234D+01  0.131989D+01 -0.110867D+00 -0.434583D-01
      3   0.118081D+01 -0.662137D-01 -0.110867D+00  0.382307D+00  0.116242D+01
               296           297           298           299           300 
      1  -0.434583D-01  0.116242D+01  0.714279D+00 -0.137977D+00 -0.672862D+00
      2  -0.176135D+00 -0.119194D+00 -0.137977D+00 -0.171216D+00  0.641505D-02
      3  -0.119194D+00 -0.636202D-01 -0.672862D+00  0.641505D-02 -0.196910D-01
               301           302           303           304           305 
      1  -0.188338D+01  0.157663D+01  0.422982D+00 -0.245940D+01  0.101482D+01
      2   0.157663D+01 -0.445298D+01 -0.197709D+01  0.101482D+01 -0.291195D+01
      3   0.422982D+00 -0.197709D+01 -0.256297D+01  0.119523D+01 -0.273747D+01
               306 
      1   0.119523D+01
      2  -0.273747D+01
      3  -0.345876D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.273112D+01 -0.127351D+01 -0.620654D+01 -0.148668D+01  0.898391D+01
      2   0.237024D+01  0.749104D+01  0.162504D+02  0.583490D+01  0.149119D+01
      3  -0.454914D+00 -0.597146D+01 -0.549615D+01 -0.177934D+01 -0.713566D+01
                 6             7             8             9            10 
      1   0.245286D+01 -0.564635D+01  0.737009D+01 -0.748106D+01 -0.106684D+01
      2  -0.168907D+01  0.768652D+01 -0.321726D+01 -0.917424D+01  0.173942D+01
      3   0.244648D+00 -0.278941D+01 -0.493418D+00  0.879317D+01  0.809849D+01
                11            12            13            14            15 
      1  -0.462751D+01  0.501623D+01 -0.478704D+01 -0.715013D+01 -0.898436D+01
      2  -0.626021D+00  0.273035D+01 -0.377281D+00  0.178736D+01  0.195687D+01
      3  -0.128875D+02  0.128422D+01 -0.783111D+01  0.280862D+00  0.289262D+01
                16            17            18            19            20 
      1   0.350976D+01 -0.210340D+01  0.604828D+01  0.626311D+01  0.206908D+00
      2  -0.189250D+01  0.125851D+01 -0.208843D+00 -0.581880D+01 -0.328914D+01
      3   0.194732D-01  0.229930D+01 -0.492542D+01 -0.722667D+01 -0.398423D+01
                21            22            23            24            25 
      1   0.657211D+00  0.159105D+01 -0.872047D+01 -0.485040D+01  0.200786D+00
      2  -0.398753D+01 -0.389731D+01 -0.245585D+01  0.140414D+01 -0.123054D+02
      3  -0.276555D+01  0.242193D+01  0.560516D+01  0.133457D+01 -0.209690D+01
                26            27            28            29            30 
      1   0.126813D+01  0.625714D+01 -0.750454D+01  0.760355D-01  0.419112D+01
      2   0.296859D+01  0.110145D+02  0.366598D+01  0.346869D+01  0.467851D+01
      3   0.954489D+00 -0.293969D+01  0.239635D+01  0.172852D+01  0.424348D+01
                31            32            33            34            35 
      1  -0.521839D+00  0.953628D+01 -0.779224D+01  0.557989D+01 -0.103846D+01
      2   0.660121D+01 -0.130480D+01 -0.502685D+00 -0.106781D+01 -0.219102D+00
      3   0.780015D+01  0.305449D+01 -0.144335D+01  0.402223D+01 -0.771902D+00
                36            37            38            39            40 
      1  -0.173357D+01  0.613212D+00  0.845745D+00 -0.179268D+01 -0.110417D+01
      2  -0.631399D+01  0.483678D+01 -0.211818D+01  0.103050D+01 -0.365329D+01
      3  -0.371378D+01 -0.238443D+01  0.415868D+01  0.701716D+00  0.649165D+01
                41            42            43            44            45 
      1   0.120613D+01 -0.193772D+01 -0.477839D+01  0.116828D+01 -0.386733D+01
      2  -0.153771D+01 -0.183227D+01 -0.465399D+01 -0.205984D+01  0.150412D+01
      3   0.929287D+00  0.145265D+01 -0.990918D+00  0.320546D-01  0.101393D+01
                46            47            48            49            50 
      1  -0.233989D+01  0.425091D+00 -0.225727D+00  0.172942D+01  0.342335D+01
      2  -0.189797D+01  0.365208D+01  0.601110D+00  0.352831D+01 -0.305769D+01
      3  -0.257575D+01  0.500784D+00 -0.163708D+01  0.744644D+01 -0.158593D+01
                51            52            53            54            55 
      1   0.144336D+01  0.404880D+00  0.888737D+01  0.931060D+00  0.230501D+01
      2  -0.174031D+00 -0.843895D+01 -0.396633D+00  0.142803D+01 -0.100498D+02
      3   0.160515D+01 -0.176997D+01  0.366257D+01  0.116562D+01  0.677412D+01
                56            57            58            59            60 
      1   0.465652D+01 -0.170416D+01  0.269251D+01  0.232476D+01 -0.133708D+01
      2  -0.294739D+01  0.318511D+00 -0.369095D+01 -0.250851D+01  0.482202D+00
      3  -0.214885D+01  0.137557D+01  0.234393D+01 -0.905350D+00 -0.710391D-01
                61            62            63            64            65 
      1  -0.350456D+00  0.125526D+01  0.161475D+00 -0.838576D+00 -0.287480D+01
      2  -0.244229D+01 -0.964928D-01  0.712609D+00  0.910139D+01 -0.413580D+01
      3   0.132918D+01 -0.605655D+00  0.905412D-01 -0.593989D+01  0.196213D+01
                66            67            68            69            70 
      1   0.415314D+01 -0.660209D+00 -0.102757D+00 -0.117164D+01  0.230497D+01
      2  -0.880577D+01 -0.242187D+01  0.347836D+01  0.273658D+01 -0.925041D+01
      3   0.540325D+01  0.314694D+01 -0.196033D+01 -0.294033D+01  0.449288D+01
                71            72            73            74            75 
      1   0.305021D+01 -0.481256D+01  0.128180D+01  0.403677D+00  0.389005D+01
      2   0.415963D+01  0.122838D+02  0.396295D+00 -0.170968D+00  0.100645D+01
      3  -0.249511D+01 -0.677267D+01 -0.185659D+02  0.670061D+01 -0.874169D+00
                76            77            78            79            80 
      1  -0.729814D-01  0.111162D+01 -0.220017D+01  0.125274D+01  0.379547D+00
      2  -0.343566D+00  0.142175D+00 -0.927881D+00 -0.183778D+01  0.320263D+00
      3   0.809706D+01 -0.636779D+01 -0.325239D+00 -0.748784D-01 -0.644616D+00
                81            82            83            84            85 
      1  -0.381189D+00  0.191667D+01  0.196037D+01 -0.514557D+01  0.183955D+01
      2  -0.193084D+00 -0.138103D+00 -0.481765D+00  0.231591D+01  0.212474D+00
      3  -0.165036D+01  0.649499D+01  0.818850D+00 -0.167000D+01  0.496977D+01
                86            87            88            89            90 
      1   0.365528D+01 -0.473318D+01 -0.219538D+01 -0.830620D+00  0.442554D+01
      2  -0.763411D+00  0.184498D+01 -0.660517D+00  0.992155D+00 -0.127127D+01
      3  -0.176137D+00 -0.671601D+00 -0.270830D+01  0.448994D-01  0.128307D+01
                91            92            93            94            95 
      1   0.196420D+01 -0.194920D+00  0.143098D+01  0.299642D+00  0.828938D+00
      2   0.282112D+01 -0.216423D+01  0.123455D+02 -0.297193D+01  0.644266D+01
      3   0.133302D+02 -0.347051D+01  0.726614D+00  0.746507D+01 -0.897936D+01
                96            97            98            99           100 
      1  -0.469315D+01  0.138933D+01  0.218238D+01 -0.403932D+01 -0.214729D+01
      2  -0.179756D+01  0.451969D+01 -0.154501D+01 -0.112335D+02 -0.274835D+01
      3  -0.658309D+01  0.101174D+01 -0.568907D+01 -0.168319D+00  0.606510D+00
               101           102           103           104           105 
      1   0.331726D+01  0.216106D+00  0.166699D+01 -0.322660D+01  0.878383D+00
      2   0.119610D+01  0.297088D+01  0.265727D+01  0.110066D+01 -0.255050D+01
      3  -0.313805D+01  0.769786D+00  0.474282D+00  0.286022D+01 -0.291359D+01
               106           107           108           109           110 
      1  -0.469084D+00  0.511889D+01 -0.850201D+00 -0.161927D+01 -0.642689D+00
      2  -0.221645D+01 -0.133921D+01  0.400984D+01 -0.224478D+00  0.129681D+01
      3  -0.619514D+00 -0.329212D+01  0.195043D+01  0.549692D+00  0.337748D+00
               111           112           113           114           115 
      1  -0.355631D+00 -0.960035D+00 -0.123321D+02 -0.167743D+01 -0.327469D-01
      2   0.721584D-01  0.317660D+01  0.252927D+01  0.425801D+00 -0.161767D+01
      3  -0.169267D+00  0.591596D+01 -0.158155D+01 -0.292827D+00 -0.337808D+00
               116           117           118           119           120 
      1   0.953137D+00 -0.961734D+00  0.386489D+01 -0.231546D+01 -0.337871D+01
      2  -0.632316D-01  0.119591D+01  0.762424D+01 -0.891206D+00 -0.845042D+00
      3  -0.411635D+00  0.373466D+00  0.418006D+01 -0.237325D+01 -0.330267D+01
               121           122           123           124           125 
      1  -0.162367D+01  0.196928D+01  0.271419D+01 -0.253401D+01  0.452286D+01
      2  -0.447105D+01  0.878440D+00  0.382848D-01 -0.613195D+01 -0.318636D+00
      3  -0.682689D+00  0.163430D+01  0.129726D+01 -0.331430D+01  0.168638D+01
               126           127           128           129           130 
      1   0.578111D+01  0.819643D+00 -0.272608D-01 -0.742664D+00  0.177004D+00
      2   0.280666D+01 -0.433241D-01  0.169039D+00  0.475315D+00 -0.165323D+01
      3   0.363753D+01  0.123823D+01  0.690749D+00  0.377388D+00  0.666526D+01
               131           132           133           134           135 
      1   0.675849D+00 -0.247765D+01  0.800543D+00  0.121398D+01 -0.198171D+01
      2   0.193161D+01  0.200017D+01 -0.363069D+01  0.962028D+00  0.258132D+01
      3  -0.215960D+01 -0.106329D+01  0.226214D+01 -0.112856D+01 -0.208596D+00
               136           137           138           139           140 
      1  -0.472179D+00  0.777844D-01 -0.658108D+00  0.205175D+00 -0.161265D+01
      2  -0.382383D+00 -0.840240D+00  0.734413D+01  0.203253D+01  0.693774D+00
      3   0.151727D+02 -0.822637D+01  0.167608D+01  0.129315D+02  0.529959D+01
               141           142           143           144           145 
      1  -0.354251D+01  0.723251D+00  0.141202D+01  0.300655D+00  0.977563D+01
      2  -0.138083D+01 -0.849500D+01 -0.275280D+01  0.666583D+00  0.193244D+01
      3  -0.814182D+00 -0.190472D+00  0.332366D+00  0.211446D+01  0.281818D+01
               146           147           148           149           150 
      1  -0.406793D+00  0.174720D-01 -0.591974D+00 -0.756735D+01 -0.172925D+02
      2  -0.126683D+02  0.144052D+02 -0.121013D+02  0.261569D+01  0.608040D+00
      3  -0.617945D+01  0.349597D+01 -0.236405D+01 -0.258412D+00 -0.181046D+01
               151           152           153           154           155 
      1  -0.459997D+00 -0.965757D+01 -0.323907D+01 -0.100502D+01  0.123108D+00
      2   0.629360D+01  0.125825D+01 -0.140154D+01 -0.796697D+01  0.384075D+01
      3   0.231047D+01 -0.209232D+01 -0.944881D+00 -0.145924D+02  0.209886D+01
               156           157           158           159           160 
      1   0.599759D+00  0.656131D+00  0.290236D+01 -0.910791D+00  0.137174D+01
      2  -0.106844D+02  0.494432D+01 -0.955031D+01  0.264677D+01 -0.206793D+02
      3  -0.289751D+01  0.907085D+01  0.192521D+02  0.897973D+01 -0.367584D+01
               161           162           163           164           165 
      1   0.297633D+01 -0.103203D+01 -0.824344D+01  0.223911D+01 -0.603785D+01
      2   0.212838D+01  0.174687D+02 -0.308829D+01  0.688042D+01 -0.437153D+01
      3   0.904636D+01 -0.267950D+01 -0.131014D+02 -0.154652D+02  0.112563D+01
               166           167           168           169           170 
      1   0.208354D+01 -0.604220D+01  0.138251D+01 -0.826046D+01  0.911930D+01
      2   0.622199D+01 -0.531926D+01  0.175635D+01 -0.101456D+02  0.409441D+01
      3  -0.107587D+02  0.250136D+01  0.350591D+01  0.178381D+01  0.341866D+01
               171           172           173           174           175 
      1   0.135959D+02 -0.468853D+01  0.554785D+01 -0.120512D-01  0.351565D+01
      2   0.108260D+02 -0.152860D+02  0.688629D+01 -0.565390D+01  0.835861D+01
      3   0.297684D+01 -0.690400D+01  0.148377D+01 -0.268790D+01  0.488943D+01
               176           177           178           179           180 
      1  -0.451827D+01  0.151957D+01 -0.871398D+00  0.339402D+01 -0.957124D+00
      2  -0.543235D+01  0.321941D+01 -0.601910D+01  0.290702D+01 -0.458091D+01
      3  -0.188584D+01  0.202776D+01 -0.175804D+01  0.657003D+00 -0.199063D+01
               181           182           183           184           185 
      1  -0.416878D+01 -0.546744D+01 -0.226652D+00 -0.325234D+01 -0.409228D+01
      2   0.116954D+02  0.461117D+01 -0.933539D+00  0.649472D+01  0.253610D+01
      3   0.343053D+01 -0.138810D+01 -0.507398D+00  0.243460D+01 -0.110253D+01
               186           187           188           189           190 
      1   0.133086D+01  0.873369D+00  0.353050D+01 -0.106771D+01  0.114452D+01
      2  -0.501577D+00 -0.424440D+01 -0.151121D+01  0.202905D+01 -0.780597D+00
      3   0.511968D+00 -0.830563D+00  0.759969D+00  0.659947D+00  0.211018D+00
               191           192           193           194           195 
      1  -0.102861D+00  0.511277D+00 -0.266035D+00  0.157313D+02  0.784176D+01
      2  -0.616957D+00 -0.155631D+01 -0.411964D+01 -0.123391D+01 -0.295844D+01
      3  -0.537644D+00 -0.527833D+00  0.169699D+01  0.184752D+01  0.148846D+01
               196           197           198           199           200 
      1   0.209626D+00  0.921487D+01  0.807024D+01 -0.689956D+00 -0.110079D-01
      2  -0.387309D+01 -0.141301D+01 -0.276284D+01  0.197387D+01  0.375836D+00
      3   0.150140D+00  0.128273D+01  0.112899D+01 -0.376016D+01 -0.280330D+01
               201           202           203           204           205 
      1  -0.337550D+00  0.327418D-01 -0.287186D+01 -0.374641D+01  0.129630D-01
      2   0.145298D+01 -0.210304D+00  0.498464D+01  0.581461D+01  0.482978D+00
      3   0.438033D+00 -0.573116D+00 -0.255151D+02 -0.536349D+01  0.815085D+00
               206           207           208           209           210 
      1  -0.301898D+00 -0.868115D+00  0.792914D-01  0.486315D+00  0.304229D+00
      2   0.349752D+01  0.175130D+01  0.890106D+01 -0.271456D+01  0.909837D+01
      3  -0.568548D+01 -0.317291D+01  0.798572D+01 -0.783219D+01  0.278711D+01
               211           212           213           214           215 
      1  -0.264113D+00 -0.486614D+00 -0.106078D+01 -0.110440D+00  0.112477D+01
      2  -0.394158D+01  0.372383D+01 -0.539219D+01  0.770816D+01 -0.282713D+01
      3  -0.501597D+01  0.582658D+01 -0.333583D+01  0.363440D+01 -0.608565D+01
               216           217           218           219           220 
      1   0.376550D+00  0.481191D+00 -0.738087D+00 -0.739273D+00 -0.576617D-01
      2   0.652357D+01 -0.500640D+01 -0.486132D+00  0.767501D+01 -0.344464D+00
      3   0.291630D+01  0.123589D+01 -0.248335D+01 -0.791242D-01 -0.110845D+01
               221           222           223           224           225 
      1   0.899189D-01 -0.634201D+00 -0.575524D+00  0.316727D+01  0.178488D+01
      2  -0.180531D+01 -0.868793D+00  0.787924D+01  0.615844D-01 -0.253946D+02
      3  -0.969461D+00  0.168250D+01  0.306168D+00  0.516825D+01  0.177414D+00
               226           227           228           229           230 
      1   0.343594D+01  0.142308D+01 -0.365841D+01  0.161877D+01  0.257662D+01
      2  -0.319353D+01 -0.201704D+01  0.407107D+00 -0.185861D+01 -0.113039D+01
      3   0.190535D+02  0.916469D+01 -0.145521D+01  0.113672D+02  0.102990D+02
               231           232           233           234           235 
      1  -0.306299D+01 -0.155787D+01 -0.590546D+00  0.147056D+00 -0.175651D+01
      2  -0.321311D+00 -0.115224D+01 -0.101481D+01 -0.753313D+00 -0.129045D+01
      3  -0.371085D+00 -0.203105D+01 -0.795829D+00  0.225738D+01  0.848424D-01
               236           237           238           239           240 
      1  -0.212430D-01  0.339843D+01  0.417415D+00 -0.192302D+01 -0.140314D+01
      2   0.411882D+00  0.351800D+01 -0.175655D+00 -0.176524D+01 -0.662445D+00
      3  -0.569850D+00  0.118440D+01  0.117779D+01 -0.635116D-03  0.123169D+01
               241           242           243           244           245 
      1   0.407735D+01  0.574100D+00 -0.174147D+02  0.528485D+01 -0.361948D+01
      2   0.254804D+00 -0.382146D+01 -0.155301D+02  0.482006D+01 -0.371564D+01
      3   0.293880D+01  0.422525D+01  0.343248D+00 -0.370803D+01 -0.278011D+01
               246           247           248           249           250 
      1   0.538885D+01 -0.342940D+01  0.469067D+01 -0.425101D+01  0.410294D+01
      2   0.576931D+01 -0.304873D+01  0.404448D+01 -0.307543D+01  0.329629D+01
      3  -0.128650D+01  0.292285D+01  0.311757D+01 -0.625940D+00 -0.263440D+01
               251           252           253           254           255 
      1  -0.291246D+01  0.339206D+01 -0.165276D+00 -0.121939D+00 -0.113730D+01
      2  -0.352267D+01  0.334415D+01 -0.320191D+01 -0.105863D+01 -0.109699D+02
      3  -0.325331D+01 -0.304231D+00 -0.121681D+02  0.875980D+00  0.655136D+00
               256           257           258           259           260 
      1   0.382268D+00  0.157240D+01  0.733057D+01  0.667904D+00  0.974419D+01
      2  -0.221707D+01  0.195642D+01 -0.710098D+01 -0.194701D+02 -0.102012D+01
      3   0.143576D+00  0.214989D+02 -0.165815D+01  0.234876D+01 -0.233859D+01
               261           262           263           264           265 
      1  -0.176533D+01 -0.170780D+00  0.390635D+00  0.163364D+01  0.445500D-01
      2   0.163975D+01  0.169885D+01  0.153288D+01  0.595459D+01  0.191059D+01
      3   0.251100D+01  0.198671D+02 -0.840154D+00 -0.119926D+01  0.146467D+02
               266           267           268           269           270 
      1   0.826978D+00  0.187993D+01 -0.338984D+01  0.739323D+01 -0.620852D+00
      2   0.188143D+01  0.164904D+02 -0.836780D+01  0.213091D+02 -0.474828D+01
      3  -0.120595D+02 -0.192063D+01 -0.128055D+01 -0.274752D+01 -0.195755D+02
               271           272           273           274           275 
      1   0.573513D+00  0.393101D+00  0.870194D+00  0.268513D+00 -0.535015D-01
      2  -0.103619D+01 -0.724587D-01  0.636231D+01  0.578795D+00 -0.240221D+01
      3  -0.782491D+01 -0.720953D+01 -0.388535D+00  0.367705D+01 -0.371378D+02
               276           277           278           279           280 
      1  -0.972551D+01 -0.163567D+00  0.391947D+00  0.109523D+01  0.451617D+00
      2   0.108582D+02  0.464449D+01  0.776527D+01 -0.306445D+01  0.311841D+01
      3   0.196829D+01 -0.116334D+01  0.253639D+01 -0.773562D+01  0.101349D-01
               281           282           283           284           285 
      1  -0.145414D+00 -0.701327D-01 -0.640523D+00  0.878945D+00 -0.351501D+01
      2  -0.332920D+00  0.710832D+00 -0.203621D+01  0.804224D+01 -0.113187D+02
      3  -0.585950D+00 -0.378171D+00 -0.339548D+01  0.138157D+02 -0.742209D+01
               286           287           288           289           290 
      1   0.113952D+01 -0.711083D+00  0.476076D+01 -0.113711D+00  0.189072D-01
      2   0.465735D+01 -0.124973D+02  0.212613D+02 -0.190635D+01 -0.499369D+00
      3   0.182148D+01 -0.109758D+02  0.117311D+02 -0.137478D+02 -0.100808D+02
               291           292           293           294           295 
      1   0.396123D+00  0.640184D-01 -0.340978D-01 -0.770487D+00  0.702793D+00
      2   0.721059D+01 -0.692789D+00 -0.666084D+00  0.224741D+01  0.368442D+01
      3   0.483056D+00 -0.743879D+01 -0.741312D+01  0.556922D+00  0.500563D+00
               296           297           298           299           300 
      1   0.462535D+00 -0.214772D-01 -0.533385D+00 -0.108341D-02 -0.245822D+00
      2  -0.661858D+00 -0.451612D+00 -0.302102D+01 -0.197400D+00  0.257994D+00
      3   0.935118D+00  0.907924D-01  0.470795D+00  0.188667D+00  0.823125D+00
               301           302           303           304           305 
      1   0.819122D+00 -0.201936D+01 -0.415778D+01  0.101645D+01 -0.148329D+01
      2   0.167456D+01 -0.932731D+01 -0.114755D+02  0.368967D+01 -0.123286D+02
      3  -0.345352D+01  0.183151D+02  0.846410D+01 -0.148108D+01  0.124648D+02
               306 
      1  -0.426112D+01
      2  -0.155826D+02
      3   0.115668D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.161288D+01 -0.104874D+02 -0.189823D+02 -0.759133D+01 -0.972579D+01
      2   0.732490D+01  0.372847D+01 -0.395391D+01  0.367575D+01  0.104684D+02
      3  -0.571202D+01  0.675891D+01  0.229362D+02  0.391558D+01 -0.742643D+00
      4  -0.157054D+02 -0.986622D+01 -0.128323D+02 -0.856039D+01  0.451998D+01
      5  -0.166860D+02 -0.146870D+02 -0.977972D+01 -0.113162D+02 -0.146802D+01
      6  -0.211640D+02 -0.673178D+01  0.469118D+01 -0.494505D+01  0.673781D+01
                 6             7             8             9            10 
      1   0.178800D+01 -0.130562D+02  0.255935D+01  0.137739D+02  0.946431D+01
      2   0.737553D+01 -0.320777D+01  0.636537D+01 -0.553087D+01 -0.204062D+02
      3  -0.916353D+01  0.162639D+02 -0.892472D+01 -0.824306D+01  0.109419D+02
      4  -0.102931D+01 -0.722053D+01 -0.868694D-01 -0.219631D+00  0.982981D+00
      5  -0.590108D+01 -0.267278D+01 -0.467648D+01  0.102749D+02  0.402462D+01
      6  -0.495742D+01  0.404564D+01 -0.701433D+01 -0.925113D+01  0.548050D+01
                11            12            13            14            15 
      1  -0.137683D+01 -0.183330D+00 -0.296163D+01 -0.435192D+00 -0.475282D+01
      2  -0.184300D+01  0.831832D+01 -0.723894D+00 -0.330872D+01  0.110664D+02
      3   0.321983D+01 -0.813499D+01  0.368552D+01  0.374392D+01 -0.631359D+01
      4  -0.169086D+02  0.631202D+01 -0.123776D+02 -0.274702D+01  0.929343D+01
      5   0.518619D+01 -0.370272D+01  0.433705D+01  0.730985D+01  0.321283D+01
      6   0.779220D+01 -0.577168D+01  0.601866D+01  0.977196D+01  0.139794D+01
                16            17            18            19            20 
      1  -0.219040D+01 -0.584191D+01 -0.399891D+01 -0.373878D+00  0.511039D+01
      2   0.809238D+01  0.140595D+02  0.869046D+01  0.139370D+00 -0.533220D+01
      3  -0.590199D+01 -0.821761D+01 -0.469155D+01  0.234508D+00  0.221812D+00
      4   0.370762D+01  0.977268D+01 -0.351906D+01  0.911271D+01 -0.392453D+01
      5  -0.376658D+01  0.133394D+00 -0.435324D+01 -0.145190D+01  0.107612D+02
      6  -0.482573D+01  0.119222D+01 -0.269881D+01  0.110145D+02  0.146701D+00
                21            22            23            24            25 
      1   0.664240D+01  0.492767D+01  0.386167D+01 -0.985044D+00  0.949570D+01
      2   0.102446D+02 -0.599059D+01  0.104955D+01 -0.863710D+01  0.560371D+01
      3  -0.168870D+02  0.106292D+01 -0.491122D+01  0.962214D+01 -0.150994D+02
      4   0.783176D+01 -0.406743D+01 -0.608627D+01 -0.921136D+01  0.671801D+01
      5  -0.144743D+02  0.101720D+02 -0.988919D+01  0.116319D+02 -0.186566D+02
      6   0.949254D+01 -0.291528D+01 -0.753127D+01 -0.763862D+01  0.801744D+01
                26            27            28            29            30 
      1  -0.156937D+01 -0.156024D+02  0.116380D+00  0.171859D+01 -0.906565D+01
      2  -0.568728D+01  0.924651D+01  0.753581D+01 -0.291177D+01 -0.682080D+01
      3   0.725665D+01  0.635585D+01 -0.765219D+01  0.119318D+01  0.158865D+02
      4  -0.540811D+01  0.133979D+02  0.173464D+01  0.176700D+01 -0.420942D+00
      5   0.129555D+02 -0.872625D+01 -0.390482D+00 -0.387851D+01 -0.651984D+01
      6  -0.446919D+01  0.912545D+01 -0.692162D+01  0.380827D+00 -0.276806D+01
                31            32            33            34            35 
      1   0.122304D+01  0.129775D+02  0.188711D+01 -0.100714D+02  0.273765D+01
      2  -0.422971D+01 -0.192956D+02  0.105054D+02 -0.509342D+01  0.436070D+01
      3   0.300668D+01  0.631805D+01 -0.123925D+02  0.151648D+02 -0.709835D+01
      4   0.225775D+01  0.375253D+00  0.148246D+01 -0.172550D+01 -0.117255D+00
      5  -0.508246D+01  0.601229D+01  0.213658D+01 -0.243621D+01 -0.173157D+00
      6   0.252540D+01  0.183556D+02 -0.146707D+01 -0.404622D+01  0.149771D+01
                36            37            38            39            40 
      1  -0.238250D+01 -0.340889D+02  0.232602D+01  0.802623D+00  0.982121D+01
      2   0.409289D+01  0.171800D+02 -0.274096D+01  0.270968D+00 -0.310494D+01
      3  -0.171038D+01  0.169089D+02  0.414937D+00 -0.107359D+01 -0.671627D+01
      4  -0.321184D+01 -0.204860D+01 -0.990798D+01  0.147976D+01 -0.327446D+01
      5   0.914658D+01  0.288679D+00  0.212607D+01 -0.850306D+01  0.308385D+01
      6  -0.673208D+01  0.413880D+01 -0.129438D+01 -0.742948D+00 -0.191172D+01
                41            42            43            44            45 
      1   0.332886D+01 -0.787032D+00  0.261544D+01 -0.219479D+01  0.750521D+01
      2  -0.420811D+00 -0.245128D+01  0.166672D+00  0.160130D+01 -0.239045D+01
      3  -0.290805D+01  0.323832D+01 -0.278211D+01  0.593496D+00 -0.511477D+01
      4   0.828475D+00 -0.212587D+01  0.141679D+01 -0.438710D-01 -0.781573D+00
      5  -0.257998D+01 -0.248628D+01 -0.350768D+01 -0.194432D+01 -0.271299D+01
      6  -0.534784D+01 -0.784719D+01  0.519816D+00 -0.550058D+01 -0.100691D+01
                46            47            48            49            50 
      1  -0.153747D+02  0.663440D+01 -0.261204D+01  0.118636D+02 -0.574141D+01
      2   0.233711D+01  0.247841D+00 -0.121714D+00 -0.517881D+01 -0.431654D+01
      3   0.130376D+02 -0.688224D+01  0.273375D+01 -0.668480D+01  0.100580D+02
      4   0.106114D+02 -0.140957D+01 -0.181058D+01 -0.985295D-01  0.560407D+00
      5  -0.300960D+01 -0.483930D+01  0.412968D+01 -0.418226D+01 -0.451224D+01
      6  -0.795106D+01  0.720279D+00  0.118008D+01  0.843543D+00 -0.605306D+01
                51            52            53            54            55 
      1   0.498039D+01 -0.659000D+01  0.760749D+01 -0.185317D+01  0.199363D+02
      2  -0.868818D+01  0.140320D+01 -0.119763D+02 -0.217873D+00 -0.120666D+02
      3   0.370778D+01  0.518681D+01  0.436878D+01  0.207104D+01 -0.786968D+01
      4  -0.638838D+01  0.113334D+01 -0.899320D+01  0.127162D+01  0.248480D+02
      5   0.321678D+00  0.200251D+01 -0.129526D+01  0.571443D+01  0.280046D+02
      6   0.552176D+01  0.392148D+00  0.203019D+01  0.300914D+01  0.166297D+02
                56            57            58            59            60 
      1   0.326913D+01  0.404510D+01  0.392867D+01  0.714643D+00 -0.143415D+01
      2   0.111102D+01 -0.633245D+01  0.100932D+01  0.411353D+01 -0.456023D+00
      3  -0.438015D+01  0.228736D+01 -0.493798D+01 -0.482817D+01  0.189017D+01
      4   0.180908D+02  0.136455D+02  0.153160D+02  0.136596D+02  0.804535D+01
      5   0.147597D+02  0.209804D+02  0.108884D+02  0.103596D+02  0.847344D+01
      6   0.142207D+02  0.125069D+02  0.101089D+02  0.111471D+02  0.103795D+02
                61            62            63            64            65 
      1   0.304718D+01 -0.116054D+01 -0.866880D+00 -0.735906D+01  0.893817D+01
      2  -0.442349D+01 -0.198574D+01 -0.511724D+01 -0.220236D+01 -0.386485D+01
      3   0.137632D+01  0.314628D+01  0.598412D+01  0.956142D+01 -0.507332D+01
      4   0.757350D+01  0.577547D+01  0.770820D+01 -0.288309D+01  0.260243D+01
      5   0.139715D+02  0.751403D+01  0.122772D+02 -0.522875D+01  0.339460D+01
      6   0.720274D+01  0.850192D+01  0.106523D+02  0.955886D+01 -0.892789D+01
                66            67            68            69            70 
      1   0.167570D+02  0.410640D+01 -0.801323D+01 -0.779918D+01  0.103757D+02
      2   0.400173D+01 -0.256168D+01  0.323844D+01  0.186527D+01  0.191716D+01
      3  -0.207588D+02 -0.154472D+01  0.477479D+01  0.593390D+01 -0.122928D+02
      4   0.476778D+01  0.295780D+01 -0.962248D+00  0.531186D-02  0.418268D+01
      5   0.682644D+01  0.266678D+01 -0.109785D+01  0.384926D+00  0.676556D+01
      6  -0.142032D+02 -0.407818D+01  0.809191D+01  0.130171D+02 -0.678091D+01
                71            72            73            74            75 
      1  -0.105981D+02 -0.275165D+02 -0.308006D+01  0.110593D+02  0.113819D+01
      2   0.617757D+00 -0.955119D+01  0.134472D+02 -0.193815D+02 -0.813255D+00
      3   0.998032D+01  0.370677D+02 -0.103672D+02  0.832229D+01 -0.324934D+00
      4   0.484719D+00 -0.154497D+01 -0.150592D+02  0.109378D+02 -0.120097D+01
      5   0.879453D+00 -0.127235D+01 -0.218667D+01  0.663710D+00  0.110793D+01
      6   0.147848D+02  0.238240D+02 -0.391686D+00 -0.190115D+01 -0.484954D+01
                76            77            78            79            80 
      1   0.568409D+01 -0.100160D+02 -0.835588D-01  0.583001D+00  0.588033D-01
      2  -0.116096D+02  0.200295D+02 -0.161041D+01 -0.113304D+01 -0.105307D+01
      3   0.592555D+01 -0.100135D+02  0.169397D+01  0.550042D+00  0.994271D+00
      4   0.991888D+01 -0.765916D+01 -0.674728D+00 -0.191804D+00 -0.126478D+01
      5   0.408553D+00 -0.151478D+01 -0.435961D+00  0.259275D+01 -0.626332D+00
      6  -0.140106D+01  0.357346D+00  0.390240D+01 -0.329106D+01  0.524919D+01
                81            82            83            84            85 
      1  -0.211501D+01  0.395468D+01 -0.428712D+01 -0.254326D+00 -0.134847D+01
      2   0.133486D+01  0.765663D+01  0.159663D+02 -0.349923D+01  0.948129D+01
      3   0.780147D+00 -0.116113D+02 -0.116792D+02  0.375355D+01 -0.813283D+01
      4  -0.147589D+01  0.143645D+02  0.187244D+02 -0.593289D+01  0.146492D+02
      5   0.375369D+00 -0.424237D+01 -0.366097D+01  0.527347D+01 -0.259531D+01
      6   0.121753D+01 -0.427965D+01 -0.520157D+01  0.699658D+01 -0.362627D+01
                86            87            88            89            90 
      1  -0.115881D+02  0.334570D+01  0.303660D-01  0.571752D+01 -0.305739D+01
      2   0.297312D+02 -0.809783D+01 -0.335858D+01 -0.119491D+02  0.407540D+01
      3  -0.181431D+02  0.475213D+01  0.332821D+01  0.623157D+01 -0.101801D+01
      4   0.209761D+02 -0.654553D+01 -0.611870D+01 -0.851621D+01  0.670450D+01
      5  -0.514607D+01  0.393241D+01  0.440881D+01  0.430636D+01 -0.470017D+01
      6  -0.878778D+01  0.742438D+01  0.515687D+01  0.930916D+01 -0.739085D+01
                91            92            93            94            95 
      1  -0.181616D+01 -0.246319D+02  0.675364D+01 -0.284811D+02  0.859831D+01
      2   0.752001D+01  0.113319D+02 -0.232496D+01  0.137921D+02 -0.771904D+01
      3  -0.570385D+01  0.132999D+02 -0.442868D+01  0.146890D+02 -0.879278D+00
      4  -0.250140D+02  0.804410D+01 -0.219607D+01  0.609185D+01  0.111025D+02
      5   0.397410D+01 -0.629993D+00  0.144299D+02 -0.176190D+01  0.883076D+01
      6   0.299929D+01 -0.366958D+00 -0.249652D+01 -0.236730D+00 -0.199713D+01
                96            97            98            99           100 
      1  -0.184166D+01  0.675545D+01  0.420639D+00  0.165892D+02  0.989590D+01
      2  -0.182407D+01 -0.154298D+01 -0.490314D+01 -0.642581D+01 -0.119649D+02
      3   0.366573D+01 -0.521247D+01  0.448250D+01 -0.101634D+02  0.206898D+01
      4   0.113403D+02 -0.333762D+01  0.115005D+02 -0.635259D+01 -0.105605D+02
      5  -0.557417D+01  0.159873D+02 -0.417630D+01 -0.154900D+02  0.203942D+02
      6  -0.282013D+00 -0.286415D+01  0.137652D+01  0.353751D+01 -0.833747D+01
               101           102           103           104           105 
      1  -0.287895D+01  0.191334D+01 -0.249516D+01 -0.330899D+01  0.397751D+01
      2   0.341809D+01 -0.112132D+02  0.320739D+01 -0.645444D+00  0.388638D+01
      3  -0.539148D+00  0.929985D+01 -0.712226D+00  0.395444D+01 -0.786390D+01
      4   0.928597D+01 -0.786446D+01  0.943679D+01 -0.946493D+01  0.958473D+01
      5  -0.984235D+01  0.233695D+02 -0.102704D+02  0.112665D+02 -0.126978D+02
      6   0.663852D+01 -0.825174D+01  0.712526D+01 -0.108249D+02  0.144045D+02
               106           107           108           109           110 
      1  -0.172246D+00  0.344868D+01 -0.803805D+01 -0.976052D-01 -0.904454D+00
      2  -0.958286D+01  0.409010D+01 -0.168543D+02  0.252248D+01  0.229736D+01
      3   0.975511D+01 -0.753878D+01  0.248924D+02 -0.242488D+01 -0.139291D+01
      4  -0.616333D+01  0.740917D+01 -0.991376D+01  0.581468D+00  0.535741D+01
      5   0.201582D+02 -0.106191D+02  0.279996D+02 -0.810453D+00 -0.213295D+01
      6  -0.718053D+01  0.117166D+02 -0.145364D+02 -0.260232D+01 -0.126239D+01
               111           112           113           114           115 
      1   0.101623D+01 -0.898026D+00 -0.251181D+02  0.989878D+01  0.251291D+01
      2   0.310866D+00  0.231912D+01  0.351320D+02 -0.731907D+01  0.126287D+00
      3  -0.132709D+01 -0.142109D+01 -0.100139D+02 -0.257971D+01 -0.263920D+01
      4  -0.116912D+01  0.606325D+01  0.157098D+01 -0.124046D+01 -0.210563D+00
      5   0.301877D+01 -0.365348D+01 -0.416449D+01  0.108110D+01  0.269474D+01
      6   0.103270D+01 -0.389997D+01 -0.268228D+02  0.133386D+02  0.152774D+01
               116           117           118           119           120 
      1   0.524830D+01 -0.513606D+01  0.215504D+01 -0.117880D+01  0.493602D+01
      2  -0.234433D+01  0.283015D+01 -0.962663D+01  0.161771D+01  0.756678D+01
      3  -0.290396D+01  0.230591D+01  0.747159D+01 -0.438906D+00 -0.125028D+02
      4   0.155753D+00  0.334398D+00  0.159949D+01  0.148750D+01 -0.149578D+01
      5   0.662629D+00 -0.173461D+01 -0.120001D+02  0.111859D+01  0.127969D+02
      6   0.929663D+01 -0.594273D+01  0.804356D-01 -0.279865D+01  0.213903D+01
               121           122           123           124           125 
      1  -0.216004D+00 -0.367792D+01 -0.356233D+01  0.310145D+01  0.202448D-01
      2   0.285404D+01  0.120303D+01 -0.492669D+01  0.751820D+01 -0.270509D+01
      3  -0.263804D+01  0.247489D+01  0.848903D+01 -0.106197D+02  0.268485D+01
      4   0.117941D+01 -0.692970D+00 -0.105587D+01 -0.172618D+01 -0.125218D+01
      5   0.446210D+01 -0.270691D+01 -0.402322D+01  0.119257D+02 -0.278593D+00
      6  -0.212254D+01  0.265358D+00  0.419587D+01  0.210772D+01  0.491949D+01
               126           127           128           129           130 
      1  -0.130066D+02  0.806489D+01  0.551942D+00  0.106907D+01  0.422393D+01
      2  -0.132565D+02 -0.297861D+01  0.169840D+00 -0.533634D+00 -0.204444D+01
      3   0.262631D+02 -0.508628D+01 -0.721782D+00 -0.535438D+00 -0.217950D+01
      4   0.176393D+01  0.170388D+01  0.293463D+01  0.188291D+01  0.455400D+01
      5  -0.133288D+02  0.211606D+01  0.147661D+01  0.280049D+01  0.217872D+01
      6  -0.207141D+01  0.251696D+01  0.110802D+01  0.175627D+01  0.112918D+01
               131           132           133           134           135 
      1  -0.874379D+01 -0.491904D+01  0.226415D+01 -0.416835D+01 -0.802857D+01
      2   0.102450D+02  0.414293D+01 -0.186388D+01  0.256632D+01  0.125352D+01
      3  -0.150117D+01  0.776105D+00 -0.400265D+00  0.160203D+01  0.677505D+01
      4   0.265560D+01  0.240489D+01  0.203460D+01  0.200832D+01  0.229964D+01
      5   0.237587D+01  0.256132D+01  0.375192D+01  0.263571D+01  0.414339D+01
      6   0.883361D+01  0.823819D+01  0.123958D+01  0.734850D+01  0.836024D+01
               136           137           138           139           140 
      1   0.218547D+02 -0.820451D+01  0.460827D+01 -0.223591D+02 -0.365622D+01
      2  -0.118928D+02  0.252845D+01 -0.224397D+01  0.120319D+02  0.525181D+01
      3  -0.996195D+01  0.567607D+01 -0.236430D+01  0.103272D+02 -0.159559D+01
      4  -0.636913D+01  0.174847D+02 -0.143793D+01  0.116296D+02 -0.431147D+01
      5   0.293815D+01 -0.124930D+01  0.151467D+02 -0.206061D+01  0.131251D+01
      6  -0.707489D+00 -0.615559D+00  0.699301D+00 -0.118191D+00  0.273045D+00
               141           142           143           144           145 
      1   0.725193D-01  0.324070D+01  0.674150D+00 -0.561493D+01  0.112767D+02
      2   0.563281D+00 -0.812131D+00 -0.204181D+00  0.112862D+01 -0.187150D+01
      3  -0.635800D+00 -0.242857D+01 -0.469969D+00  0.448632D+01 -0.940521D+01
      4   0.142802D+01 -0.118178D+01 -0.421810D+00 -0.315249D+01 -0.687183D+01
      5   0.816127D+00  0.706812D+00 -0.176520D+01  0.540460D+00  0.442881D+01
      6   0.544266D+01  0.597975D+00  0.334952D+01 -0.866855D+00  0.246161D+02
               146           147           148           149           150 
      1  -0.618789D+01  0.465837D+01 -0.620728D+01  0.936933D+01  0.619586D+01
      2   0.305265D+01 -0.305550D+01  0.340244D+01  0.880411D+01  0.747726D+01
      3   0.313524D+01 -0.160288D+01  0.280484D+01 -0.181734D+02 -0.136731D+02
      4  -0.845270D+01  0.986506D+01 -0.838846D+01  0.169980D+01  0.552691D+01
      5   0.205154D+02 -0.160404D+02  0.201822D+02  0.423564D+01  0.156062D+01
      6  -0.153551D+01 -0.229437D+00 -0.131942D+01 -0.378530D+01 -0.203731D+02
               151           152           153           154           155 
      1   0.424596D+01  0.266443D+01 -0.583528D+01 -0.263867D+01  0.284778D+02
      2  -0.184353D+01  0.843956D+01 -0.480120D+01  0.208284D+01 -0.143790D+02
      3  -0.240243D+01 -0.111040D+02  0.106365D+02  0.555838D+00 -0.140988D+02
      4   0.567757D+01  0.500153D+01  0.106899D+01  0.287841D+02 -0.451742D+01
      5  -0.129536D+02  0.162768D+01 -0.265720D+01 -0.158202D+02  0.455636D+01
      6  -0.221061D+00 -0.150757D+02 -0.104828D+02 -0.843575D+00 -0.350104D+00
               156           157           158           159           160 
      1  -0.173191D+02  0.334362D+02 -0.758202D+01  0.788642D+01 -0.219285D+02
      2   0.564847D+01 -0.183622D+02  0.582874D+00 -0.413037D+01  0.499137D+01
      3   0.116706D+02 -0.150739D+02  0.699915D+01 -0.375605D+01  0.169371D+02
      4   0.478910D+01 -0.865109D+01 -0.256948D+02 -0.142392D+02  0.735583D+01
      5  -0.206971D+02  0.761152D+01 -0.135268D+02  0.580625D+01 -0.307236D+02
      6  -0.679305D+00 -0.968882D+00  0.893954D+00  0.125462D+01 -0.179700D+00
               161           162           163           164           165 
      1   0.721666D+01 -0.226506D+02  0.896915D+01  0.243188D+02 -0.791245D+01
      2  -0.385977D+01  0.188026D+02 -0.215926D+02 -0.118169D+02 -0.380070D+01
      3  -0.335690D+01  0.384797D+01  0.126235D+02 -0.125019D+02  0.117131D+02
      4  -0.146424D+02  0.477518D+01  0.210600D+02 -0.199401D+02  0.959641D+01
      5   0.496781D+01  0.316708D+02 -0.835930D+01  0.232234D+01 -0.875059D+01
      6   0.704182D+00  0.190194D+01  0.408777D+01 -0.655141D+01  0.812480D+01
               166           167           168           169           170 
      1   0.237868D+02 -0.884276D+01 -0.291609D+00 -0.103101D+02  0.190108D+01
      2  -0.115185D+02  0.729811D+01  0.942044D+01 -0.476094D+01  0.122946D+02
      3  -0.122683D+02  0.154465D+01 -0.912883D+01  0.150711D+02 -0.141957D+02
      4  -0.171101D+02 -0.511348D+01 -0.132504D+02  0.121103D+02 -0.159956D+02
      5   0.189447D+01 -0.108714D+02  0.241863D+01 -0.123991D+02  0.726976D+01
      6  -0.540300D+01  0.118788D+02 -0.355211D+00  0.108576D+02 -0.431664D+01
               171           172           173           174           175 
      1  -0.369719D+01 -0.527092D+01  0.787142D+01 -0.122518D+02  0.594370D+01
      2   0.109816D+02 -0.781148D+00 -0.424259D+01 -0.359458D+01 -0.346780D+01
      3  -0.728445D+01  0.605207D+01 -0.362882D+01  0.158464D+02 -0.247591D+01
      4   0.125757D+02 -0.689339D+01  0.529276D+01 -0.444674D+01  0.608572D+01
      5   0.242667D+02  0.176309D+02 -0.961313D+01  0.116383D+02 -0.107717D+02
      6  -0.187773D+02 -0.137017D+02  0.127388D+02 -0.114180D+02  0.950071D+01
               176           177           178           179           180 
      1  -0.104517D+02  0.862733D+01 -0.556884D+01  0.479929D+01 -0.877068D+01
      2   0.594288D+01 -0.594083D+00 -0.225973D+01 -0.264142D+00 -0.323863D+01
      3   0.450880D+01 -0.803324D+01  0.782857D+01 -0.453514D+01  0.120093D+02
      4  -0.367468D+01  0.118747D+01 -0.244872D+01  0.103747D+01 -0.216236D+01
      5   0.512335D+01 -0.471884D+01  0.824709D+01 -0.353102D+01  0.687629D+01
      6  -0.132830D+02  0.141353D+02 -0.611478D+01  0.893609D+01 -0.809143D+01
               181           182           183           184           185 
      1   0.749792D+01 -0.902936D+00  0.500365D+01  0.104118D+01 -0.526661D+01
      2  -0.720143D+01  0.590561D+00  0.736276D+01 -0.307168D+00  0.305241D+01
      3  -0.296487D+00  0.312374D+00 -0.123664D+02 -0.734007D+00  0.221420D+01
      4   0.132291D+02  0.109337D+02 -0.818148D+01  0.102033D+02  0.954267D+01
      5  -0.230613D+02 -0.130151D+02  0.191203D+02 -0.132222D+02 -0.988088D+01
      6  -0.128025D+02 -0.118512D+02  0.110894D+02 -0.871881D+01 -0.125578D+02
               186           187           188           189           190 
      1   0.557634D+01  0.156621D+01  0.276968D+01 -0.426062D+01 -0.190383D+01
      2   0.109749D+01  0.457325D+01  0.820772D+00 -0.576197D+01 -0.146582D+01
      3  -0.667382D+01 -0.613946D+01 -0.359045D+01  0.100226D+02  0.336965D+01
      4  -0.652436D+01 -0.440310D+01 -0.404304D+01  0.514882D+01 -0.108503D+00
      5   0.935298D+01  0.130464D+02  0.619872D+01 -0.119579D+02 -0.761675D+00
      6   0.134365D+02  0.630583D+01  0.895482D+01 -0.781768D+01  0.378823D+00
               191           192           193           194           195 
      1  -0.507680D+00 -0.219894D+01 -0.118544D+01 -0.865273D+01 -0.148277D+02
      2  -0.407969D+00  0.315052D+00 -0.272318D+00 -0.333378D+01 -0.116246D+02
      3   0.915649D+00  0.188389D+01  0.145775D+01  0.119865D+02  0.264523D+02
      4   0.288567D+01 -0.153181D+00  0.284104D+01 -0.576177D+01 -0.298175D+01
      5   0.114790D+01  0.638311D+01  0.433144D+01 -0.265599D+01 -0.468022D+01
      6   0.891086D+00  0.590086D+00  0.617009D+00  0.203851D+02  0.154378D+02
               196           197           198           199           200 
      1  -0.153057D+01 -0.674637D+01 -0.138044D+02  0.381956D+01  0.495859D+01
      2   0.394533D+00 -0.692066D+01 -0.127642D+02 -0.257156D-01 -0.296218D+00
      3   0.113603D+01  0.136670D+02  0.265686D+02 -0.379384D+01 -0.466237D+01
      4   0.705602D-01 -0.261368D+01 -0.288314D+01  0.611448D+01  0.104568D+02
      5   0.609319D+01 -0.250316D+01 -0.460246D+01  0.337148D+01  0.669298D+00
      6   0.222966D+00  0.129232D+02  0.117310D+02  0.674373D+00 -0.254442D-01
               201           202           203           204           205 
      1   0.390888D+01  0.167394D+02  0.384411D+01 -0.164819D+01  0.838334D+01
      2  -0.158993D+01 -0.566479D+01  0.921184D+01  0.206553D+01 -0.331171D+01
      3  -0.231895D+01 -0.110746D+02 -0.130559D+02 -0.417343D+00 -0.507163D+01
      4   0.117342D+01  0.179279D+02  0.413470D+02  0.696751D+01  0.212906D+01
      5   0.341151D+01 -0.323326D+00  0.675086D+01  0.791602D+01  0.570153D+01
      6   0.562546D+00 -0.517853D+00 -0.275949D+00  0.393572D+01  0.449832D+00
               206           207           208           209           210 
      1  -0.387614D+00  0.165703D+01  0.626268D+02 -0.151484D+02  0.166850D+02
      2   0.124370D+01 -0.153009D+01 -0.311589D+02  0.684720D+01 -0.872544D+01
      3  -0.856089D+00 -0.126940D+00 -0.314679D+02  0.830118D+01 -0.795959D+01
      4   0.822565D+01  0.474857D+01 -0.162156D+02  0.126554D+02 -0.453010D+01
      5   0.489636D+01  0.908346D+00  0.178378D+02 -0.462603D+01  0.153580D+02
      6   0.308585D+01  0.137093D+01 -0.370938D+00  0.366970D+00 -0.293523D+00
               211           212           213           214           215 
      1  -0.310722D+02  0.114374D+02 -0.649948D+01  0.323805D+02 -0.652340D+01
      2   0.145964D+02 -0.289355D+01  0.329872D+01 -0.168277D+02  0.321902D+01
      3   0.164758D+02 -0.854387D+01  0.320076D+01 -0.155528D+02  0.330437D+01
      4   0.171152D+02 -0.115577D+02  0.685713D+01 -0.811334D+01  0.982997D+01
      5  -0.806558D+01  0.667822D+01 -0.900214D+01  0.214448D+02 -0.606240D+01
      6   0.126608D+01 -0.122964D+01  0.182805D+01 -0.120049D+01  0.197854D+01
               216           217           218           219           220 
      1   0.148336D+02  0.176602D+02 -0.201202D+01 -0.103732D+02 -0.527053D+01
      2  -0.105234D+02 -0.122143D+02  0.105710D+01  0.827131D+01  0.323837D+01
      3  -0.431027D+01 -0.544587D+01  0.954920D+00  0.210188D+01  0.203217D+01
      4  -0.560038D+01 -0.136511D+01  0.415290D+01 -0.141486D+01  0.631310D+01
      5   0.123834D+02 -0.142716D+02 -0.983725D+00  0.186762D+02  0.274802D+00
      6  -0.169579D+01 -0.652509D+00 -0.111574D+01  0.934286D+00 -0.199474D+01
               221           222           223           224           225 
      1   0.217454D+01 -0.406477D+00 -0.239577D+02 -0.177554D+01  0.124151D+02
      2  -0.122414D+01 -0.103726D+00  0.185078D+02  0.104258D+01 -0.212641D+02
      3  -0.950396D+00  0.510202D+00  0.544991D+01  0.732961D+00  0.884906D+01
      4   0.175301D+01 -0.467563D+01 -0.236295D+01 -0.791105D+01  0.499135D-01
      5  -0.423198D+01 -0.222400D+01  0.315018D+02 -0.118365D+00 -0.473507D+02
      6   0.327659D+00  0.397733D+01  0.955680D+00  0.453699D+01 -0.269691D+01
               226           227           228           229           230 
      1  -0.143495D+02 -0.179720D+02  0.340640D-01 -0.132433D+02 -0.175523D+02
      2   0.142685D+02  0.220001D+02  0.697871D+00  0.139584D+02  0.248036D+02
      3   0.810280D-01 -0.402815D+01 -0.731935D+00 -0.715074D+00 -0.725134D+01
      4   0.916948D+01  0.859040D+00 -0.256619D+01  0.671814D+01 -0.781537D+00
      5   0.505808D+01  0.971340D+00 -0.630642D+00  0.213611D+01  0.251420D+01
      6  -0.390741D+00  0.407917D+01  0.442002D+01  0.170485D+01  0.194813D+01
               231           232           233           234           235 
      1  -0.328773D+00  0.218436D+01  0.449997D+00 -0.339127D+01  0.394732D+01
      2  -0.931080D+00 -0.163476D-01 -0.320480D+01  0.159553D+01 -0.220899D+01
      3   0.125985D+01 -0.216801D+01  0.275481D+01  0.179574D+01 -0.173834D+01
      4   0.742946D+00 -0.248363D+01  0.306518D+01 -0.411246D+00 -0.717140D+01
      5  -0.102434D+01  0.126777D+01 -0.146131D+01 -0.167802D+01 -0.772514D+01
      6   0.434554D+01  0.167454D+01  0.399452D+01  0.137769D+01  0.392817D+01
               236           237           238           239           240 
      1  -0.263355D+01 -0.338836D+01 -0.621047D+00 -0.214695D+01 -0.304010D+01
      2   0.229808D+00  0.479764D+01 -0.770414D+00  0.144887D+01  0.327285D+01
      3   0.240374D+01 -0.140928D+01  0.139146D+01  0.698072D+00 -0.232750D+00
      4   0.745841D+01  0.480986D+01  0.432638D+01 -0.253584D+01 -0.358455D+01
      5   0.316898D+01  0.117120D+02  0.406954D+00 -0.340142D+01 -0.248466D+01
      6  -0.216511D+01 -0.664795D+01 -0.131790D+01  0.372455D+01  0.772965D+01
               241           242           243           244           245 
      1  -0.486768D+01 -0.560484D+01 -0.889461D+01  0.240944D+02 -0.110540D+02
      2   0.616952D+01  0.505528D+01 -0.117277D+02  0.543382D+00 -0.892049D+01
      3  -0.130183D+01  0.549558D+00  0.206223D+02 -0.246378D+02  0.199745D+02
      4   0.869776D+01 -0.109218D+02 -0.131091D+02 -0.344946D+02  0.320168D+02
      5   0.156669D+02 -0.106232D+02 -0.334587D+02  0.517446D+01 -0.301775D+01
      6  -0.943425D+01  0.147991D+02  0.289039D+02 -0.487910D+01  0.340301D+01
               246           247           248           249           250 
      1   0.563920D+01 -0.876896D+01  0.244056D+01 -0.652595D+00  0.102403D+02
      2   0.728989D+00 -0.655148D+01  0.164805D+02 -0.419449D+01  0.708596D+00
      3  -0.636819D+01  0.153204D+02 -0.189211D+02  0.484708D+01 -0.109489D+02
      4  -0.782879D+01  0.242793D+02 -0.273948D+02  0.757334D+01 -0.161206D+02
      5   0.843602D+01 -0.219907D+01  0.474842D+01 -0.418602D+01  0.879911D+01
      6  -0.743632D+01  0.331887D+01 -0.474129D+01  0.559884D+01 -0.735206D+01
               251           252           253           254           255 
      1  -0.195178D+01  0.318791D+01 -0.714828D+01  0.127824D+02 -0.229110D+01
      2  -0.892780D+01 -0.181410D-01  0.322163D+01 -0.281652D+01  0.146465D+01
      3   0.108796D+02 -0.316977D+01  0.392665D+01 -0.996591D+01  0.826442D+00
      4   0.175749D+02 -0.101209D+02  0.158662D+02 -0.157812D+02 -0.743583D+00
      5  -0.697652D+01  0.537062D+01 -0.200910D+01 -0.538934D+00 -0.179437D+02
      6   0.757926D+01 -0.525202D+01  0.396475D+00 -0.332413D+00  0.219686D+01
               256           257           258           259           260 
      1  -0.600825D+01 -0.145564D+01 -0.205241D+01 -0.511060D+00 -0.604216D+00
      2   0.532461D+00 -0.109154D+02 -0.344692D-01  0.768761D-01  0.184167D+01
      3   0.547579D+01  0.123710D+02  0.208688D+01  0.434184D+00 -0.123745D+01
      4  -0.297337D+02 -0.418719D+02  0.232188D+01  0.258916D+01  0.382914D+01
      5   0.138066D+01  0.201905D+01 -0.109046D+02  0.757502D+01 -0.476076D+01
      6  -0.916344D+00  0.664424D+00 -0.919532D+01  0.987871D+00  0.448744D+01
               261           262           263           264           265 
      1  -0.105714D+01 -0.239570D+02 -0.344064D+02  0.350192D+01 -0.511616D+02
      2  -0.654695D+01  0.164853D+02  0.155560D+02 -0.225951D+01  0.243121D+02
      3   0.760409D+01  0.747166D+01  0.188504D+02 -0.124241D+01  0.268494D+02
      4  -0.441730D+01 -0.383804D+02  0.715563D+01  0.127734D+01 -0.571542D+01
      5   0.339308D+01  0.353361D+01  0.115850D+01  0.654832D+01  0.131353D+01
      6   0.202843D+01 -0.104096D+01 -0.494755D+00 -0.242302D+01 -0.568404D-01
               266           267           268           269           270 
      1  -0.423277D+01  0.211238D+01  0.558602D+01  0.195346D+01  0.468584D+01
      2   0.363672D+01 -0.342076D+01 -0.190040D+01 -0.395671D+01 -0.561365D+01
      3   0.596048D+00  0.130838D+01 -0.368562D+01  0.200325D+01  0.927808D+00
      4   0.188099D+02  0.335989D+01  0.154587D+01  0.427495D+01  0.346388D+02
      5   0.372586D+01  0.306382D+02 -0.770156D+01  0.367727D+02 -0.837572D+01
      6  -0.188123D+01 -0.973009D+01  0.561159D+01 -0.138788D+02  0.283746D+01
               271           272           273           274           275 
      1   0.169944D+02  0.108042D+02 -0.164859D+01  0.427418D+02 -0.104007D+02
      2  -0.575402D+01 -0.342908D+01  0.542874D+00 -0.135407D+02  0.327546D+02
      3  -0.112404D+02 -0.737509D+01  0.110571D+01 -0.292011D+02 -0.223539D+02
      4   0.175113D+02  0.214598D+02 -0.531743D+00  0.385420D+02  0.746339D+02
      5  -0.115913D+01 -0.501160D+00  0.101918D+02 -0.293246D+00 -0.294397D+01
      6  -0.320449D+00  0.187965D+00  0.396960D+00  0.940848D+00 -0.313320D+00
               276           277           278           279           280 
      1   0.187515D+01 -0.369452D+01  0.100531D+01  0.740750D-01  0.746154D+01
      2  -0.956424D+00  0.183736D+01 -0.143359D+01  0.848146D+00 -0.445555D+01
      3  -0.918728D+00  0.185716D+01  0.428279D+00 -0.922221D+00 -0.300599D+01
      4  -0.301498D+01 -0.164071D+01 -0.421408D+01  0.169050D+02 -0.164974D+01
      5   0.168030D+02  0.137353D+02  0.159067D+02 -0.437140D+01  0.641878D+01
      6   0.149846D+02  0.377661D+01  0.114273D+02 -0.206902D+01 -0.276463D+01
               281           282           283           284           285 
      1  -0.215956D+01  0.709751D+01 -0.896626D+01  0.605999D+00  0.163416D+01
      2   0.114522D+01 -0.322521D+01  0.339627D+01  0.451629D+01 -0.190071D+01
      3   0.101434D+01 -0.387230D+01  0.556999D+01 -0.512228D+01  0.266541D+00
      4   0.233479D+01 -0.303930D+01  0.145966D+02 -0.276763D+02  0.144680D+02
      5  -0.248423D+01  0.419736D+01 -0.656265D+01  0.149356D+02 -0.216543D+02
      6   0.113320D+00 -0.150370D+00  0.304980D+01 -0.878961D+01  0.104376D+02
               286           287           288           289           290 
      1   0.192242D+02 -0.356462D+00 -0.168623D+01  0.965144D+02  0.182822D+02
      2  -0.108500D+02 -0.860263D+00 -0.500063D+01 -0.513174D+02 -0.108279D+02
      3  -0.837422D+01  0.121672D+01  0.668685D+01 -0.451970D+02 -0.745429D+01
      4  -0.126471D+02  0.215301D+02 -0.224413D+02  0.131653D+02  0.149830D+02
      5   0.176383D+02 -0.239338D+02  0.401684D+02 -0.139164D+01 -0.314360D+00
      6  -0.542177D+01  0.123184D+02 -0.141668D+02  0.824189D+00  0.374091D+00
               291           292           293           294           295 
      1  -0.226028D+01  0.420148D+02  0.141742D+02 -0.808772D+00 -0.528346D+01
      2   0.115436D+01 -0.224011D+02 -0.670803D+01  0.626642D+00  0.276703D+01
      3   0.110592D+01 -0.196137D+02 -0.746620D+01  0.182130D+00  0.251643D+01
      4  -0.351002D+00  0.161408D+02  0.133500D+02 -0.954917D+00 -0.342418D+00
      5   0.137797D+02 -0.461987D+00 -0.868738D+00  0.460527D+01  0.134873D+02
      6  -0.789764D+00  0.405829D+00  0.396619D+00  0.180563D+01 -0.198974D+00
               296           297           298           299           300 
      1  -0.712567D+00  0.905311D+01  0.622509D+01 -0.298486D+01 -0.650123D+01
      2   0.762300D+00 -0.561244D+01 -0.280884D+01  0.172324D+01  0.292679D+01
      3  -0.497334D-01 -0.344067D+01 -0.341626D+01  0.126162D+01  0.357444D+01
      4  -0.153534D+01 -0.453613D+00 -0.176074D+01  0.183227D+01  0.226038D+01
      5  -0.123526D+00 -0.819567D+00 -0.540309D+01  0.156121D+01  0.201024D+01
      6   0.261963D+01 -0.176417D+00  0.279736D+01  0.360326D+00  0.341792D+00
               301           302           303           304           305 
      1  -0.112189D+02 -0.575253D+00 -0.283226D+01 -0.175842D+02 -0.752445D+00
      2   0.367696D+01  0.909946D+01  0.462826D+01  0.845061D+01  0.415982D+01
      3   0.754197D+01 -0.852421D+01 -0.179600D+01  0.913357D+01 -0.340738D+01
      4   0.164269D+02 -0.355102D+02 -0.158664D+02  0.114959D+02 -0.234942D+02
      5   0.509329D+01 -0.167379D+02 -0.216558D+02  0.132409D+02 -0.231898D+02
      6  -0.286025D+01  0.971204D+01  0.997684D+01 -0.465050D+01  0.118229D+02
               306 
      1  -0.204396D+01
      2  -0.666960D+00
      3   0.271092D+01
      4  -0.216200D+02
      5  -0.286937D+02
      6   0.113891D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sat Jul 17 01:27:29 2021, MaxMem=  5637144576 cpu:          164045.6 elap:           20575.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.95986 -18.90235 -10.16224 -10.08663 -10.04814
 Alpha  occ. eigenvalues --  -10.04578 -10.04249 -10.03432 -10.02712 -10.02590
 Alpha  occ. eigenvalues --  -10.02379 -10.02177 -10.02174 -10.02154  -1.18431
 Alpha  occ. eigenvalues --   -1.09608  -0.98229  -0.87276  -0.85893  -0.85353
 Alpha  occ. eigenvalues --   -0.83207  -0.77421  -0.76982  -0.73329  -0.71877
 Alpha  occ. eigenvalues --   -0.67194  -0.62739  -0.62031  -0.58824  -0.58090
 Alpha  occ. eigenvalues --   -0.57690  -0.56565  -0.56297  -0.54018  -0.52675
 Alpha  occ. eigenvalues --   -0.51057  -0.50391  -0.49722  -0.49017  -0.48293
 Alpha  occ. eigenvalues --   -0.48109  -0.46792  -0.46515  -0.45203  -0.44789
 Alpha  occ. eigenvalues --   -0.43731  -0.42273  -0.41774  -0.40532  -0.40430
 Alpha  occ. eigenvalues --   -0.38249  -0.37788  -0.37277  -0.36091
 Alpha virt. eigenvalues --    0.02892   0.03335   0.03629   0.04021   0.05005
 Alpha virt. eigenvalues --    0.05269   0.05568   0.05728   0.05771   0.06815
 Alpha virt. eigenvalues --    0.07092   0.07490   0.07835   0.08178   0.08345
 Alpha virt. eigenvalues --    0.08625   0.09030   0.09769   0.09971   0.10293
 Alpha virt. eigenvalues --    0.11230   0.11689   0.12156   0.12424   0.12723
 Alpha virt. eigenvalues --    0.13249   0.13616   0.13814   0.14091   0.14307
 Alpha virt. eigenvalues --    0.14719   0.14966   0.15502   0.15773   0.15998
 Alpha virt. eigenvalues --    0.16222   0.16614   0.17027   0.17290   0.17442
 Alpha virt. eigenvalues --    0.17840   0.17887   0.18030   0.18428   0.18731
 Alpha virt. eigenvalues --    0.19388   0.19538   0.19993   0.20256   0.20927
 Alpha virt. eigenvalues --    0.21263   0.21368   0.22020   0.22418   0.22724
 Alpha virt. eigenvalues --    0.22967   0.23229   0.23583   0.23771   0.24433
 Alpha virt. eigenvalues --    0.24740   0.24908   0.25167   0.25667   0.26186
 Alpha virt. eigenvalues --    0.26584   0.27048   0.27498   0.27786   0.28384
 Alpha virt. eigenvalues --    0.28725   0.29292   0.29337   0.29556   0.30016
 Alpha virt. eigenvalues --    0.30191   0.30731   0.31140   0.31676   0.32337
 Alpha virt. eigenvalues --    0.32644   0.33293   0.33483   0.33935   0.34680
 Alpha virt. eigenvalues --    0.35310   0.35928   0.36095   0.36227   0.36444
 Alpha virt. eigenvalues --    0.36618   0.36951   0.37536   0.38151   0.38566
 Alpha virt. eigenvalues --    0.38824   0.39440   0.39834   0.39864   0.40420
 Alpha virt. eigenvalues --    0.40585   0.41122   0.41867   0.42221   0.42562
 Alpha virt. eigenvalues --    0.43065   0.43435   0.43661   0.44184   0.44790
 Alpha virt. eigenvalues --    0.45113   0.45700   0.45961   0.46954   0.47227
 Alpha virt. eigenvalues --    0.47992   0.48072   0.48156   0.48607   0.49016
 Alpha virt. eigenvalues --    0.49209   0.49483   0.50059   0.50076   0.50752
 Alpha virt. eigenvalues --    0.51286   0.51704   0.52366   0.53163   0.53253
 Alpha virt. eigenvalues --    0.53931   0.54354   0.54479   0.54970   0.55883
 Alpha virt. eigenvalues --    0.56279   0.56795   0.57581   0.57810   0.58558
 Alpha virt. eigenvalues --    0.59037   0.59397   0.60347   0.60495   0.60903
 Alpha virt. eigenvalues --    0.61396   0.62155   0.62303   0.62538   0.62938
 Alpha virt. eigenvalues --    0.63314   0.63991   0.64212   0.64898   0.65029
 Alpha virt. eigenvalues --    0.65570   0.65947   0.66153   0.66667   0.66964
 Alpha virt. eigenvalues --    0.67273   0.67470   0.68006   0.68620   0.69126
 Alpha virt. eigenvalues --    0.69346   0.70053   0.70766   0.71131   0.71237
 Alpha virt. eigenvalues --    0.72221   0.72982   0.73167   0.73743   0.74012
 Alpha virt. eigenvalues --    0.74568   0.74619   0.75148   0.75300   0.75986
 Alpha virt. eigenvalues --    0.76671   0.76756   0.77717   0.77909   0.78680
 Alpha virt. eigenvalues --    0.78906   0.79691   0.80119   0.80841   0.81215
 Alpha virt. eigenvalues --    0.81315   0.82157   0.82448   0.82871   0.83249
 Alpha virt. eigenvalues --    0.83509   0.83644   0.83901   0.85129   0.85742
 Alpha virt. eigenvalues --    0.86650   0.87068   0.88494   0.88817   0.88924
 Alpha virt. eigenvalues --    0.89892   0.90401   0.90766   0.91702   0.91973
 Alpha virt. eigenvalues --    0.92701   0.92828   0.93668   0.94211   0.94885
 Alpha virt. eigenvalues --    0.94967   0.95696   0.96228   0.96602   0.97729
 Alpha virt. eigenvalues --    0.98341   0.99212   0.99741   1.00425   1.00824
 Alpha virt. eigenvalues --    1.01357   1.01766   1.02618   1.03434   1.03859
 Alpha virt. eigenvalues --    1.04875   1.05493   1.06881   1.07333   1.07735
 Alpha virt. eigenvalues --    1.09931   1.10747   1.11625   1.12322   1.13442
 Alpha virt. eigenvalues --    1.14982   1.15494   1.16171   1.17099   1.18771
 Alpha virt. eigenvalues --    1.20260   1.20409   1.21158   1.21783   1.22374
 Alpha virt. eigenvalues --    1.23309   1.24613   1.24867   1.25285   1.26542
 Alpha virt. eigenvalues --    1.26759   1.27782   1.29521   1.31129   1.32374
 Alpha virt. eigenvalues --    1.32625   1.33362   1.34253   1.34529   1.36251
 Alpha virt. eigenvalues --    1.38112   1.39070   1.39445   1.41393   1.41834
 Alpha virt. eigenvalues --    1.42573   1.45019   1.45316   1.46095   1.47357
 Alpha virt. eigenvalues --    1.49568   1.50038   1.50826   1.54017   1.55441
 Alpha virt. eigenvalues --    1.55528   1.58261   1.58596   1.58780   1.59428
 Alpha virt. eigenvalues --    1.59882   1.60655   1.61715   1.62232   1.63346
 Alpha virt. eigenvalues --    1.64566   1.65412   1.66551   1.67482   1.67750
 Alpha virt. eigenvalues --    1.68526   1.69232   1.70471   1.71252   1.71615
 Alpha virt. eigenvalues --    1.71964   1.72761   1.74398   1.75883   1.76998
 Alpha virt. eigenvalues --    1.77633   1.77788   1.78726   1.78858   1.80121
 Alpha virt. eigenvalues --    1.81014   1.82472   1.82994   1.84470   1.84955
 Alpha virt. eigenvalues --    1.86952   1.87757   1.88512   1.89729   1.91414
 Alpha virt. eigenvalues --    1.91713   1.92713   1.93159   1.93830   1.94253
 Alpha virt. eigenvalues --    1.95124   1.96010   1.96737   1.98215   1.98715
 Alpha virt. eigenvalues --    1.99398   1.99979   2.01493   2.02720   2.03044
 Alpha virt. eigenvalues --    2.03973   2.04436   2.05162   2.05470   2.05873
 Alpha virt. eigenvalues --    2.06400   2.07936   2.09961   2.10602   2.11804
 Alpha virt. eigenvalues --    2.12140   2.13174   2.13381   2.14286   2.15246
 Alpha virt. eigenvalues --    2.17075   2.18306   2.19045   2.19140   2.20918
 Alpha virt. eigenvalues --    2.20945   2.22021   2.23211   2.24829   2.26487
 Alpha virt. eigenvalues --    2.26753   2.27937   2.28980   2.29639   2.30872
 Alpha virt. eigenvalues --    2.31148   2.32406   2.32777   2.33411   2.34819
 Alpha virt. eigenvalues --    2.35692   2.36262   2.38223   2.40731   2.41287
 Alpha virt. eigenvalues --    2.42157   2.42689   2.44420   2.45944   2.46322
 Alpha virt. eigenvalues --    2.47309   2.48363   2.48643   2.50157   2.51975
 Alpha virt. eigenvalues --    2.52730   2.53425   2.54108   2.54400   2.56002
 Alpha virt. eigenvalues --    2.57701   2.58497   2.60438   2.61730   2.62170
 Alpha virt. eigenvalues --    2.62895   2.64592   2.65651   2.66837   2.68002
 Alpha virt. eigenvalues --    2.69055   2.70496   2.71801   2.73080   2.73641
 Alpha virt. eigenvalues --    2.75404   2.75915   2.76161   2.76954   2.79043
 Alpha virt. eigenvalues --    2.80229   2.82638   2.84295   2.86309   2.87694
 Alpha virt. eigenvalues --    2.88268   2.90020   2.92942   2.94643   2.96688
 Alpha virt. eigenvalues --    3.00975   3.03381   3.07048   3.11155   3.13541
 Alpha virt. eigenvalues --    3.16383   3.17312   3.19601   3.28763   3.29727
 Alpha virt. eigenvalues --    3.43611   3.46188   3.49743   3.50312   3.51357
 Alpha virt. eigenvalues --    3.57176   3.58206   3.65182   3.67594   3.69565
 Alpha virt. eigenvalues --    3.72618   3.83069   3.88307   3.97371   4.04482
 Alpha virt. eigenvalues --    4.47438   5.11247   5.62783
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    8.474513  -2.809502  -2.625899   0.358448  -0.176801   2.373701
     2  C   -2.809502  11.221975   1.794015  -0.651720  -1.373887  -2.178628
     3  C   -2.625899   1.794015  17.761323  -4.053382   1.014360  -1.901596
     4  C    0.358448  -0.651720  -4.053382  11.398940  -4.825222   1.095616
     5  C   -0.176801  -1.373887   1.014360  -4.825222  19.555470  -9.173501
     6  C    2.373701  -2.178628  -1.901596   1.095616  -9.173501  30.173988
     7  H   -0.578465   0.387369   0.657237   0.004099  -0.116516  -0.027647
     8  H   -0.596595   0.633792  -0.583806   0.185201   0.074248  -0.586986
     9  H    0.294385  -0.902244   0.005293  -0.130449   0.119112   0.209342
    10  H    0.169588  -1.037673  -0.315806   0.059229   0.542154  -0.471723
    11  C   -0.110119   0.196808  -4.218989   0.732002   1.406230  -7.553241
    12  H    0.418870  -0.069727  -3.007888   0.547963   0.214341  -0.125783
    13  H    0.013107  -0.180042   0.704512  -1.144907   0.907576  -0.019116
    14  H    0.136189   0.328715  -0.710999  -0.322614  -0.157845  -0.052650
    15  H    0.030570   0.142139  -0.380325   1.214535  -2.692600  -0.466120
    16  O   -0.104850   0.038792   0.010189   0.565889  -0.871425  -0.737369
    17  C    0.097635  -1.050260   0.273242   0.402612   0.007918  -1.633466
    18  C   -0.100031  -0.163599  -0.056468  -0.162308   0.250357   0.219500
    19  C   -0.108046   0.229398   0.030807  -0.240639  -0.531391   0.134297
    20  H    0.062502  -0.010215  -0.128255   0.060173   0.209255   0.008628
    21  H   -0.016600  -0.059791   0.141093  -0.093988   0.239774  -0.072255
    22  H   -0.066471   0.065954   0.081098   0.054794  -0.241302  -0.135091
    23  H   -0.205747  -0.028657  -0.059774   0.041904   0.009249  -0.424501
    24  H    0.211022  -0.109032  -0.220326   0.104481  -0.032561   0.341566
    25  H   -0.057119   0.124720   0.097607  -0.097950   0.188609  -0.329955
    26  H    0.019507   0.099063  -0.151285  -0.334464  -0.075737  -0.073189
    27  H   -0.070943   0.031074   0.160949  -0.109910   0.561275  -0.942225
    28  H    0.096886  -0.121667  -0.226691   0.338301  -0.178455   0.496983
    29  C    0.016208  -0.203079  -0.098151   0.217175  -0.115417  -1.035196
    30  C    0.003267  -0.045608   0.009685  -0.073048   0.034095  -0.010565
    31  O   -0.001656  -0.002427  -0.011787   0.056780  -0.002124   0.077373
    32  H    0.003397  -0.011023   0.005907  -0.018074  -0.010907   0.026510
    33  H    0.001874  -0.004667  -0.003609   0.019523   0.025269  -0.001681
    34  H   -0.001891  -0.001983   0.004479  -0.035445   0.029711  -0.029690
               7          8          9         10         11         12
     1  C   -0.578465  -0.596595   0.294385   0.169588  -0.110119   0.418870
     2  C    0.387369   0.633792  -0.902244  -1.037673   0.196808  -0.069727
     3  C    0.657237  -0.583806   0.005293  -0.315806  -4.218989  -3.007888
     4  C    0.004099   0.185201  -0.130449   0.059229   0.732002   0.547963
     5  C   -0.116516   0.074248   0.119112   0.542154   1.406230   0.214341
     6  C   -0.027647  -0.586986   0.209342  -0.471723  -7.553241  -0.125783
     7  H    3.127171  -1.165800   0.334183  -0.689670  -0.306628  -0.145691
     8  H   -1.165800   3.103573  -0.425717   0.330599   0.371551   0.091004
     9  H    0.334183  -0.425717   3.808274  -1.527377  -0.391097   0.000327
    10  H   -0.689670   0.330599  -1.527377   4.152120   0.761609   0.005365
    11  C   -0.306628   0.371551  -0.391097   0.761609  21.419777   0.243205
    12  H   -0.145691   0.091004   0.000327   0.005365   0.243205   3.688496
    13  H   -0.024692   0.061951  -0.022108   0.005053  -0.103722  -0.207482
    14  H    0.081714  -0.081500   0.067187  -0.018719   0.068970   0.077709
    15  H    0.007897  -0.030001   0.092062   0.000320   0.030892   0.010358
    16  O   -0.024091   0.038864  -0.236999   0.176313   0.411431  -0.005604
    17  C    0.048591  -0.080703   0.096524  -0.340714  -0.603329  -0.041631
    18  C   -0.182962   0.137934   0.138662  -0.185378  -2.385428   0.109973
    19  C    0.053225  -0.047404  -0.033576   0.053359  -1.286756  -0.010911
    20  H   -0.002255  -0.000462  -0.013011  -0.007588  -0.008234   0.001668
    21  H    0.016479  -0.009819   0.049507  -0.035781   0.055336  -0.002457
    22  H   -0.002987   0.000331   0.001814   0.000975  -0.023075  -0.004920
    23  H   -0.038976   0.017014   0.033167  -0.013326   0.606893  -0.003550
    24  H   -0.015777   0.028280  -0.015712   0.022775  -0.259334   0.016714
    25  H    0.034531  -0.013284   0.028452  -0.037558   0.225039   0.022467
    26  H    0.004150   0.004230  -0.001602  -0.001685   0.482438   0.019932
    27  H   -0.015040   0.004868  -0.007828   0.021805   0.342058   0.012030
    28  H    0.018647  -0.006208   0.004583  -0.011063  -0.145019   0.006887
    29  C    0.001062   0.000229  -0.091118   0.049690   0.012506   0.012997
    30  C    0.003880  -0.013587   0.024975  -0.010003  -0.053207   0.000586
    31  O    0.000461  -0.003222   0.001949  -0.000817   0.005433  -0.000379
    32  H    0.000441  -0.000077   0.001703  -0.000309  -0.002917   0.000166
    33  H   -0.000032   0.000852  -0.004970  -0.000068   0.001577  -0.000207
    34  H    0.000663  -0.004115   0.003447   0.000188  -0.004589   0.000537
              13         14         15         16         17         18
     1  C    0.013107   0.136189   0.030570  -0.104850   0.097635  -0.100031
     2  C   -0.180042   0.328715   0.142139   0.038792  -1.050260  -0.163599
     3  C    0.704512  -0.710999  -0.380325   0.010189   0.273242  -0.056468
     4  C   -1.144907  -0.322614   1.214535   0.565889   0.402612  -0.162308
     5  C    0.907576  -0.157845  -2.692600  -0.871425   0.007918   0.250357
     6  C   -0.019116  -0.052650  -0.466120  -0.737369  -1.633466   0.219500
     7  H   -0.024692   0.081714   0.007897  -0.024091   0.048591  -0.182962
     8  H    0.061951  -0.081500  -0.030001   0.038864  -0.080703   0.137934
     9  H   -0.022108   0.067187   0.092062  -0.236999   0.096524   0.138662
    10  H    0.005053  -0.018719   0.000320   0.176313  -0.340714  -0.185378
    11  C   -0.103722   0.068970   0.030892   0.411431  -0.603329  -2.385428
    12  H   -0.207482   0.077709   0.010358  -0.005604  -0.041631   0.109973
    13  H    2.937824  -0.944505  -0.582204   0.072934   0.075314   0.084092
    14  H   -0.944505   3.112951   0.307930  -0.195002  -0.140965  -0.092607
    15  H   -0.582204   0.307930   4.863543  -0.347042  -0.136241  -0.061207
    16  O    0.072934  -0.195002  -0.347042   9.891434  -0.048752  -0.030623
    17  C    0.075314  -0.140965  -0.136241  -0.048752   8.126639  -0.085098
    18  C    0.084092  -0.092607  -0.061207  -0.030623  -0.085098   7.438223
    19  C   -0.235553   0.195993   0.163485  -0.013479  -0.221551  -0.727431
    20  H    0.000555  -0.009271   0.024503  -0.054867  -0.039876   0.042888
    21  H   -0.001141  -0.005078   0.013144   0.012657  -0.344976  -0.092113
    22  H    0.011371  -0.000496  -0.090511   0.054491   0.202095   0.049454
    23  H    0.012599  -0.007637  -0.001976   0.005255   0.134590  -0.129784
    24  H    0.015777  -0.005577  -0.014154   0.005365  -0.021168   0.070190
    25  H   -0.016020   0.005181   0.016032  -0.008723  -0.239385   0.021442
    26  H   -0.012869   0.011753  -0.028779  -0.001787  -0.031591   0.149817
    27  H    0.023666  -0.013537  -0.020355   0.017312  -0.099938   0.039192
    28  H    0.001408   0.025616   0.008573  -0.008046   0.037561  -0.210723
    29  C    0.020377  -0.095645  -0.114751   0.114128   0.102592  -0.067422
    30  C   -0.009167  -0.015359  -0.027860  -0.214423   0.045594  -0.005861
    31  O    0.007447  -0.001374   0.014918  -0.082541   0.009131   0.001291
    32  H   -0.002493   0.001916   0.002308  -0.146197  -0.008145  -0.001289
    33  H    0.002099  -0.004610  -0.004093   0.181459   0.000762  -0.000045
    34  H    0.001614  -0.007901   0.005456  -0.179742   0.006676  -0.000661
              19         20         21         22         23         24
     1  C   -0.108046   0.062502  -0.016600  -0.066471  -0.205747   0.211022
     2  C    0.229398  -0.010215  -0.059791   0.065954  -0.028657  -0.109032
     3  C    0.030807  -0.128255   0.141093   0.081098  -0.059774  -0.220326
     4  C   -0.240639   0.060173  -0.093988   0.054794   0.041904   0.104481
     5  C   -0.531391   0.209255   0.239774  -0.241302   0.009249  -0.032561
     6  C    0.134297   0.008628  -0.072255  -0.135091  -0.424501   0.341566
     7  H    0.053225  -0.002255   0.016479  -0.002987  -0.038976  -0.015777
     8  H   -0.047404  -0.000462  -0.009819   0.000331   0.017014   0.028280
     9  H   -0.033576  -0.013011   0.049507   0.001814   0.033167  -0.015712
    10  H    0.053359  -0.007588  -0.035781   0.000975  -0.013326   0.022775
    11  C   -1.286756  -0.008234   0.055336  -0.023075   0.606893  -0.259334
    12  H   -0.010911   0.001668  -0.002457  -0.004920  -0.003550   0.016714
    13  H   -0.235553   0.000555  -0.001141   0.011371   0.012599   0.015777
    14  H    0.195993  -0.009271  -0.005078  -0.000496  -0.007637  -0.005577
    15  H    0.163485   0.024503   0.013144  -0.090511  -0.001976  -0.014154
    16  O   -0.013479  -0.054867   0.012657   0.054491   0.005255   0.005365
    17  C   -0.221551  -0.039876  -0.344976   0.202095   0.134590  -0.021168
    18  C   -0.727431   0.042888  -0.092113   0.049454  -0.129784   0.070190
    19  C    6.987080   0.018845   0.030574  -0.085300   0.109198  -0.194475
    20  H    0.018845   1.919956  -0.542299  -0.466817   0.016965  -0.010440
    21  H    0.030574  -0.542299   2.260757  -0.461268  -0.052101   0.019798
    22  H   -0.085300  -0.466817  -0.461268   2.136765   0.021995   0.005855
    23  H    0.109198   0.016965  -0.052101   0.021995   2.576237  -0.633377
    24  H   -0.194475  -0.010440   0.019798   0.005855  -0.633377   2.345102
    25  H    0.000538   0.008127   0.061868  -0.032426  -0.628389  -0.506442
    26  H   -0.030468   0.009442   0.022710  -0.050797  -0.049145   0.035488
    27  H   -0.020358   0.010088  -0.022003   0.069424   0.040791  -0.000901
    28  H   -0.135971  -0.008560   0.006823   0.019281   0.029515  -0.007883
    29  C    0.003058  -0.033847   0.035600  -0.008758  -0.004392   0.002186
    30  C   -0.006674  -0.015928   0.007379  -0.002074  -0.001854   0.000237
    31  O    0.007544   0.000207  -0.000064   0.000278   0.000368  -0.000017
    32  H    0.000796  -0.008060   0.002653  -0.000872  -0.000420   0.000095
    33  H   -0.000387   0.000207  -0.000011  -0.000338   0.000009   0.000038
    34  H   -0.001209   0.000300   0.000907  -0.000857  -0.000210  -0.000079
              25         26         27         28         29         30
     1  C   -0.057119   0.019507  -0.070943   0.096886   0.016208   0.003267
     2  C    0.124720   0.099063   0.031074  -0.121667  -0.203079  -0.045608
     3  C    0.097607  -0.151285   0.160949  -0.226691  -0.098151   0.009685
     4  C   -0.097950  -0.334464  -0.109910   0.338301   0.217175  -0.073048
     5  C    0.188609  -0.075737   0.561275  -0.178455  -0.115417   0.034095
     6  C   -0.329955  -0.073189  -0.942225   0.496983  -1.035196  -0.010565
     7  H    0.034531   0.004150  -0.015040   0.018647   0.001062   0.003880
     8  H   -0.013284   0.004230   0.004868  -0.006208   0.000229  -0.013587
     9  H    0.028452  -0.001602  -0.007828   0.004583  -0.091118   0.024975
    10  H   -0.037558  -0.001685   0.021805  -0.011063   0.049690  -0.010003
    11  C    0.225039   0.482438   0.342058  -0.145019   0.012506  -0.053207
    12  H    0.022467   0.019932   0.012030   0.006887   0.012997   0.000586
    13  H   -0.016020  -0.012869   0.023666   0.001408   0.020377  -0.009167
    14  H    0.005181   0.011753  -0.013537   0.025616  -0.095645  -0.015359
    15  H    0.016032  -0.028779  -0.020355   0.008573  -0.114751  -0.027860
    16  O   -0.008723  -0.001787   0.017312  -0.008046   0.114128  -0.214423
    17  C   -0.239385  -0.031591  -0.099938   0.037561   0.102592   0.045594
    18  C    0.021442   0.149817   0.039192  -0.210723  -0.067422  -0.005861
    19  C    0.000538  -0.030468  -0.020358  -0.135971   0.003058  -0.006674
    20  H    0.008127   0.009442   0.010088  -0.008560  -0.033847  -0.015928
    21  H    0.061868   0.022710  -0.022003   0.006823   0.035600   0.007379
    22  H   -0.032426  -0.050797   0.069424   0.019281  -0.008758  -0.002074
    23  H   -0.628389  -0.049145   0.040791   0.029515  -0.004392  -0.001854
    24  H   -0.506442   0.035488  -0.000901  -0.007883   0.002186   0.000237
    25  H    2.316066   0.044366  -0.070260  -0.009411  -0.002046  -0.000051
    26  H    0.044366   2.694669  -0.560701  -0.715454  -0.044321  -0.002180
    27  H   -0.070260  -0.560701   2.230438  -0.448297   0.017674  -0.001573
    28  H   -0.009411  -0.715454  -0.448297   2.313369   0.007222   0.000573
    29  C   -0.002046  -0.044321   0.017674   0.007222   6.759957   0.058299
    30  C   -0.000051  -0.002180  -0.001573   0.000573   0.058299   5.063264
    31  O   -0.000015  -0.007508   0.000133   0.001076   0.156818  -0.123410
    32  H   -0.000128   0.000434  -0.000072   0.000162   0.007984   0.345125
    33  H   -0.000014  -0.000430   0.000114   0.000009   0.048915   0.114144
    34  H    0.000063  -0.000705   0.000052  -0.000106   0.004591   0.394588
              31         32         33         34
     1  C   -0.001656   0.003397   0.001874  -0.001891
     2  C   -0.002427  -0.011023  -0.004667  -0.001983
     3  C   -0.011787   0.005907  -0.003609   0.004479
     4  C    0.056780  -0.018074   0.019523  -0.035445
     5  C   -0.002124  -0.010907   0.025269   0.029711
     6  C    0.077373   0.026510  -0.001681  -0.029690
     7  H    0.000461   0.000441  -0.000032   0.000663
     8  H   -0.003222  -0.000077   0.000852  -0.004115
     9  H    0.001949   0.001703  -0.004970   0.003447
    10  H   -0.000817  -0.000309  -0.000068   0.000188
    11  C    0.005433  -0.002917   0.001577  -0.004589
    12  H   -0.000379   0.000166  -0.000207   0.000537
    13  H    0.007447  -0.002493   0.002099   0.001614
    14  H   -0.001374   0.001916  -0.004610  -0.007901
    15  H    0.014918   0.002308  -0.004093   0.005456
    16  O   -0.082541  -0.146197   0.181459  -0.179742
    17  C    0.009131  -0.008145   0.000762   0.006676
    18  C    0.001291  -0.001289  -0.000045  -0.000661
    19  C    0.007544   0.000796  -0.000387  -0.001209
    20  H    0.000207  -0.008060   0.000207   0.000300
    21  H   -0.000064   0.002653  -0.000011   0.000907
    22  H    0.000278  -0.000872  -0.000338  -0.000857
    23  H    0.000368  -0.000420   0.000009  -0.000210
    24  H   -0.000017   0.000095   0.000038  -0.000079
    25  H   -0.000015  -0.000128  -0.000014   0.000063
    26  H   -0.007508   0.000434  -0.000430  -0.000705
    27  H    0.000133  -0.000072   0.000114   0.000052
    28  H    0.001076   0.000162   0.000009  -0.000106
    29  C    0.156818   0.007984   0.048915   0.004591
    30  C   -0.123410   0.345125   0.114144   0.394588
    31  O    8.321788   0.014125  -0.016047   0.018330
    32  H    0.014125   1.233312  -0.209623  -0.140475
    33  H   -0.016047  -0.209623   1.244877  -0.214868
    34  H    0.018330  -0.140475  -0.214868   1.228035
 Mulliken charges:
               1
     1  C    0.849067
     2  C    1.721615
     3  C    2.003240
     4  C    0.836458
     5  C    1.186689
     6  C   -1.175329
     7  H   -0.444573
     8  H   -0.435233
     9  H   -0.511140
    10  H   -0.645885
    11  C   -3.918071
    12  H   -0.875367
    13  H   -0.453254
    14  H   -0.537935
    15  H   -0.950447
    16  O   -0.284950
    17  C    1.500316
    18  C    1.988024
    19  C    1.913382
    20  H   -0.034321
    21  H   -0.165316
    22  H   -0.101613
    23  H   -0.371933
    24  H   -0.177712
    25  H   -0.145933
    26  H   -0.423301
    27  H   -0.179005
    28  H   -0.179924
    29  C    0.264874
    30  C    0.526738
    31  O   -0.442062
    32  H   -0.085959
    33  H   -0.176028
    34  H   -0.075113
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.030739
     2  C    0.564590
     3  C    1.127873
     4  C   -0.154732
     5  C    0.236243
     6  C   -1.175329
    11  C   -3.918071
    16  O   -0.284950
    17  C    1.199067
    18  C    1.292447
    19  C    1.131152
    29  C    0.264874
    30  C    0.189638
    31  O   -0.442062
 Electronic spatial extent (au):  <R**2>=           2854.8621
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.0642    Y=             -1.7630    Z=              0.1180  Tot=              2.0627
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -85.7295   YY=            -91.1565   ZZ=            -86.3469
   XY=             -8.2575   XZ=              0.5541   YZ=              0.2912
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.0148   YY=             -3.4122   ZZ=              1.3974
   XY=             -8.2575   XZ=              0.5541   YZ=              0.2912
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             34.0353  YYY=             -2.8381  ZZZ=             -0.0460  XYY=             -6.4999
  XXY=            -27.4706  XXZ=              1.1625  XZZ=              8.5651  YZZ=              1.1111
  YYZ=              0.0527  XYZ=              2.3080
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2427.4405 YYYY=           -721.0396 ZZZZ=           -680.7510 XXXY=            -85.2358
 XXXZ=             18.6279 YYYX=            -10.7336 YYYZ=             -4.2148 ZZZX=             -2.4394
 ZZZY=              1.2227 XXYY=           -570.6416 XXZZ=           -522.3034 YYZZ=           -228.9673
 XXYZ=             -1.5743 YYXZ=              3.9260 ZZXY=             -3.9804
 N-N= 1.014917255427D+03 E-N=-3.469731982993D+03  KE= 6.147827994902D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sat Jul 17 01:27:31 2021, MaxMem=  5637144576 cpu:              13.5 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.99881884D-01-6.82884299D-01 4.29922905D-02
 Polarizability= 1.58276184D+02-2.40980466D+00 1.33105099D+02
                -7.47736341D-01-3.61990215D-01 1.27567661D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.3854    0.3870       -1.0547   -1.0560
 2     -0.3854   -0.3870        0.2313    0.2284      -13.5499  -13.5541
 3      1.0547    1.0560       16.6416   16.6463       -0.2282   -0.2284
 4     -0.2313   -0.2284        0.0000    0.0000        1.0563    1.0560
 5     -3.0918   -3.0922       -1.0563   -1.0560        0.3820    0.3870
 6      0.2282    0.2284       -0.3820   -0.3870        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.1611   -1.1611       -3.1680   -3.1680
 2     -0.6851   -0.6851        0.0000    0.0000       -3.1680   -3.1680
 3     -0.6851   -0.6851       -1.1611   -1.1611        0.0000    0.0000
 4     -1.1611   -1.1611        0.6851    0.6851      -40.6624  -40.6624
 5      3.1680    3.1680       49.9390   49.9390       -0.6851   -0.6851
 6     -9.2766   -9.2766       -3.1680   -3.1680        1.1611    1.1611
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0398    0.0000       -1.5179   -1.5482        4.2725    4.2239
 2      1.5181    1.5482       -0.9115   -0.9134       54.1668   54.2166
 3     -4.3043   -4.2239      -66.5567  -66.5854        0.9692    0.9134
 4      0.8993    0.9134       -0.0012    0.0000       -4.1646   -4.2239
 5     12.4251   12.3688        4.1886    4.2239       -1.5186   -1.5482
 6     -0.8983   -0.9134        1.5297    1.5482        0.0444    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0246    0.0000        4.0445    4.0164       -0.3840   -0.3342
 2     -4.0199   -4.0164      -27.0634  -27.0970        8.6721    8.6145
 3      0.4004    0.3342        8.1016    7.9967       27.0312   27.0970
 4     27.0912   27.0970        0.0656    0.0000        0.3398    0.3342
 5    -16.7820  -16.6112       -0.2636   -0.3342        3.8890    4.0164
 6    -27.1063  -27.0970       -4.0997   -4.0164       -0.0410    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     10.5182   10.6187      -22.5932  -22.5421        6.0118    6.1652
 2     52.6828   52.8182      -12.8080  -12.9000        5.9994    6.1652
 3     52.6420   52.8182      -22.5263  -22.5421       11.1327   11.2200
 4     -9.6030   -9.6421      -42.1673  -42.1995       17.8633   17.8055
 5      5.1232    5.0549       12.3069   12.2946       42.0017   42.1995
 6    -30.3803  -30.1001       -4.9342   -5.0549        9.6039    9.6421
 Full mass-weighted force constant matrix:
 Low frequencies ---  -11.7112   -3.4433   -0.0003    0.0004    0.0007    8.6356
 Low frequencies ---   40.5012   50.2144   73.1277
 Diagonal vibrational polarizability:
       23.6480820       5.0507442      43.4344238
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     40.4956                50.1465                73.1139
 Red. masses --      1.2950                 4.3860                 2.4626
 Frc consts  --      0.0013                 0.0065                 0.0078
 IR Inten    --      1.9027                 0.3207                 1.2786
 RamAct Fr= 1--      0.5201                 0.9204                 0.1720
  Dep-P Fr= 1--      0.7491                 0.7201                 0.7411
  Dep-U Fr= 1--      0.8566                 0.8373                 0.8513
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0000
 Beta2  Fr= 1--      0.0743                 0.1284                 0.0244
 AlphaG Fr= 1--      0.0001                 0.0018                 0.0003
 Gamma2 Fr= 1--      0.0194                 0.0098                 0.0160
 Delta2 Fr= 1--      0.0145                 0.0416                -0.0145
 Raman1 Fr= 1--       2.081                  3.682                  0.688
 ROA1   Fr= 1--       2.328                  2.277                  1.068
 CID1   Fr= 1--       1.119                  0.618                  1.553
 Raman2 Fr= 1--       0.891                  1.541                  0.293
 ROA2   Fr= 1--       0.351                 -0.097                  0.499
 CID2   Fr= 1--       0.393                 -0.063                  1.705
 Raman3 Fr= 1--       1.782                  3.083                  0.586
 ROA3   Fr= 1--       2.328                  2.277                  1.068
 CID3   Fr= 1--       1.306                  0.739                  1.824
 RC180  Fr= 1--       0.713                  0.675                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02  -0.02    -0.15  -0.04  -0.01     0.10  -0.02   0.03
     2   6     0.00   0.00  -0.02    -0.04  -0.02  -0.04     0.03   0.01   0.06
     3   6     0.00   0.02   0.01    -0.10  -0.03  -0.03     0.01  -0.02  -0.00
     4   6     0.00   0.01   0.01    -0.07  -0.06  -0.13    -0.02   0.06   0.02
     5   6     0.00  -0.00   0.01     0.00  -0.02  -0.14    -0.00   0.04   0.01
     6   6    -0.00  -0.01  -0.00     0.03  -0.01  -0.06     0.00   0.04   0.02
     7   1    -0.00   0.03  -0.02    -0.18  -0.02   0.09     0.14  -0.07  -0.03
     8   1    -0.00   0.03  -0.02    -0.22  -0.07  -0.07     0.16   0.01   0.07
     9   1     0.00   0.01  -0.03    -0.04  -0.02  -0.11     0.03   0.00   0.11
    10   1     0.00  -0.00  -0.03    -0.00  -0.01   0.03     0.01   0.04   0.05
    11   6     0.00   0.00   0.01     0.01   0.01   0.01    -0.02  -0.01  -0.01
    12   1     0.00   0.03   0.01    -0.13  -0.03   0.01    -0.00  -0.06  -0.02
    13   1     0.01   0.02   0.03    -0.05  -0.07  -0.18    -0.10   0.07   0.06
    14   1     0.00   0.02   0.01    -0.13  -0.11  -0.15     0.01   0.13   0.01
    15   1    -0.00  -0.01   0.02     0.03  -0.00  -0.18     0.03   0.03   0.02
    16   8     0.00  -0.00   0.01     0.01  -0.01  -0.18    -0.02   0.01  -0.06
    17   6    -0.00  -0.03  -0.01     0.13   0.01  -0.06    -0.01   0.09   0.03
    18   6     0.00  -0.00  -0.00     0.01   0.03   0.12    -0.00  -0.06  -0.04
    19   6     0.00  -0.01   0.03     0.07   0.02  -0.02    -0.08  -0.01  -0.03
    20   1    -0.00  -0.04  -0.02     0.15   0.00  -0.11     0.01   0.13   0.06
    21   1    -0.00  -0.04  -0.02     0.15   0.03   0.01     0.01   0.07   0.04
    22   1    -0.00  -0.04   0.01     0.18   0.02  -0.07    -0.04   0.11  -0.00
    23   1     0.00   0.00  -0.01    -0.02   0.02   0.19     0.02  -0.04  -0.11
    24   1     0.00   0.00   0.00    -0.02   0.01   0.14    -0.02  -0.04  -0.00
    25   1    -0.00  -0.01  -0.00     0.08   0.09   0.14     0.00  -0.13  -0.04
    26   1     0.00  -0.00   0.03     0.05   0.01  -0.14    -0.06  -0.02   0.09
    27   1     0.01  -0.02   0.03     0.19   0.05   0.01    -0.21  -0.02  -0.06
    28   1    -0.00  -0.00   0.04     0.01   0.00   0.06    -0.02  -0.01  -0.12
    29   6    -0.00  -0.00  -0.02     0.02   0.02   0.08     0.00  -0.03  -0.01
    30   6     0.00   0.01   0.09     0.02   0.03   0.13    -0.04  -0.09  -0.17
    31   8    -0.01  -0.01  -0.10     0.03   0.04   0.27     0.06  -0.01   0.16
    32   1     0.24   0.45   0.38     0.10   0.22   0.25     0.20   0.14  -0.01
    33   1    -0.01  -0.03  -0.39     0.02   0.02  -0.03    -0.03  -0.17  -0.56
    34   1    -0.22  -0.39   0.45    -0.05  -0.14   0.29    -0.35  -0.29   0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --     96.9674               148.6003               195.9384
 Red. masses --      2.9928                 1.6114                 1.5228
 Frc consts  --      0.0166                 0.0210                 0.0344
 IR Inten    --      1.5086                 1.5029                 0.4664
 RamAct Fr= 1--      0.1774                 0.0568                 0.2568
  Dep-P Fr= 1--      0.6541                 0.5217                 0.7417
  Dep-U Fr= 1--      0.7909                 0.6857                 0.8517
 Alpha2 Fr= 1--      0.0003                 0.0003                 0.0000
 Beta2  Fr= 1--      0.0234                 0.0065                 0.0364
 AlphaG Fr= 1--      0.0001                -0.0003                -0.0006
 Gamma2 Fr= 1--     -0.0065                -0.0496                -0.0480
 Delta2 Fr= 1--      0.0354                 0.0411                -0.0321
 Raman1 Fr= 1--       0.710                  0.227                  1.027
 ROA1   Fr= 1--       0.505                 -3.445                 -5.636
 CID1   Fr= 1--       0.711                -15.163                 -5.487
 Raman2 Fr= 1--       0.281                  0.078                  0.437
 ROA2   Fr= 1--      -0.440                 -1.519                 -0.896
 CID2   Fr= 1--      -1.569                -19.498                 -2.047
 Raman3 Fr= 1--       0.561                  0.156                  0.875
 ROA3   Fr= 1--       0.505                 -3.445                 -5.636
 CID3   Fr= 1--       0.900                -22.112                 -6.443
 RC180  Fr= 1--       0.582                  0.371                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03  -0.01    -0.06   0.01  -0.01    -0.03  -0.00  -0.03
     2   6     0.06   0.04  -0.01     0.06   0.02  -0.04     0.02   0.01  -0.04
     3   6    -0.05   0.02   0.00    -0.01   0.00  -0.01    -0.01  -0.01  -0.01
     4   6    -0.07   0.10  -0.02     0.01  -0.03  -0.01     0.01  -0.03  -0.01
     5   6    -0.01   0.08  -0.05    -0.01   0.05   0.02    -0.01   0.02   0.02
     6   6     0.02   0.04  -0.01     0.00   0.02  -0.01    -0.00  -0.00  -0.01
     7   1     0.07  -0.02  -0.03    -0.10   0.03   0.09    -0.04  -0.00   0.00
     8   1     0.07   0.08  -0.00    -0.14  -0.02  -0.07    -0.06  -0.00  -0.05
     9   1     0.07   0.06  -0.01     0.10   0.11  -0.10     0.03   0.03  -0.06
    10   1     0.07   0.03  -0.01     0.15  -0.05  -0.02     0.04  -0.02  -0.03
    11   6    -0.03  -0.02   0.02    -0.01  -0.00  -0.00    -0.00   0.00  -0.01
    12   1    -0.09  -0.01   0.02    -0.00   0.03   0.00     0.00   0.01  -0.01
    13   1    -0.14   0.11   0.02     0.05  -0.04  -0.09     0.03  -0.04  -0.06
    14   1    -0.07   0.17  -0.06     0.00  -0.10   0.02     0.00  -0.08   0.02
    15   1     0.02   0.07  -0.04    -0.06   0.08  -0.00    -0.06   0.04   0.00
    16   8    -0.03   0.04  -0.07    -0.00   0.07   0.09    -0.00   0.04   0.09
    17   6     0.09   0.06  -0.01    -0.02  -0.04  -0.02     0.00  -0.06  -0.02
    18   6     0.01  -0.11   0.03     0.01  -0.04   0.03     0.02  -0.00   0.10
    19   6    -0.11  -0.04   0.04    -0.03   0.00  -0.03     0.00   0.03  -0.08
    20   1     0.13   0.11  -0.04    -0.02  -0.04  -0.02     0.13   0.14  -0.02
    21   1     0.13   0.00   0.02    -0.02  -0.06  -0.06     0.13  -0.28  -0.07
    22   1     0.05   0.06  -0.02    -0.04  -0.06   0.02    -0.24  -0.07   0.02
    23   1     0.05  -0.09  -0.06     0.13  -0.14   0.37    -0.09   0.09  -0.21
    24   1    -0.04  -0.10   0.11     0.04  -0.28  -0.23    -0.10   0.20   0.44
    25   1     0.05  -0.21   0.05    -0.11   0.28  -0.02     0.27  -0.31   0.19
    26   1    -0.12  -0.01   0.11    -0.14   0.11  -0.34     0.07  -0.04   0.07
    27   1    -0.17  -0.07   0.03     0.28   0.02   0.04    -0.22   0.11  -0.14
    28   1    -0.10  -0.05   0.01    -0.26  -0.12   0.18     0.15   0.06  -0.28
    29   6     0.02  -0.04  -0.01     0.02   0.01   0.02     0.00   0.02   0.03
    30   6    -0.06  -0.13   0.19    -0.04  -0.06  -0.04    -0.03  -0.02  -0.02
    31   8     0.11  -0.06  -0.09     0.08   0.01   0.00     0.03   0.01  -0.00
    32   1    -0.35  -0.25   0.10    -0.01  -0.05  -0.03    -0.01  -0.03  -0.02
    33   1    -0.00  -0.19   0.50    -0.00  -0.13  -0.12    -0.01  -0.06  -0.07
    34   1     0.11  -0.01   0.07    -0.15  -0.07  -0.03    -0.10  -0.02  -0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    219.6226               223.4060               235.2566
 Red. masses --      1.2783                 1.2787                 2.3707
 Frc consts  --      0.0363                 0.0376                 0.0773
 IR Inten    --      0.1986                 1.7709                 0.5074
 RamAct Fr= 1--      0.4462                 0.3072                 0.2760
  Dep-P Fr= 1--      0.2550                 0.1408                 0.5704
  Dep-U Fr= 1--      0.4063                 0.2469                 0.7264
 Alpha2 Fr= 1--      0.0052                 0.0049                 0.0009
 Beta2  Fr= 1--      0.0302                 0.0126                 0.0334
 AlphaG Fr= 1--     -0.0011                -0.0057                 0.0024
 Gamma2 Fr= 1--     -0.0417                -0.0429                 0.1988
 Delta2 Fr= 1--      0.1325                 0.0317                -0.0546
 Raman1 Fr= 1--       1.785                  1.229                  1.104
 ROA1   Fr= 1--       0.232                 -3.105                 17.342
 CID1   Fr= 1--       0.130                 -2.527                 15.708
 Raman2 Fr= 1--       0.363                  0.152                  0.401
 ROA2   Fr= 1--      -2.061                 -1.284                  5.209
 CID2   Fr= 1--      -5.685                 -8.466                 12.990
 Raman3 Fr= 1--       0.725                  0.303                  0.802
 ROA3   Fr= 1--       0.232                 -3.105                 17.342
 CID3   Fr= 1--       0.319                -10.236                 21.624
 RC180  Fr= 1--      -0.187                 -0.506                  0.453
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02  -0.01    -0.04  -0.01   0.01    -0.04   0.01   0.00
     2   6    -0.01  -0.01   0.01    -0.02  -0.00   0.00    -0.01   0.01  -0.00
     3   6     0.01  -0.01  -0.03    -0.02  -0.01  -0.00     0.01   0.01   0.00
     4   6     0.01  -0.01  -0.03    -0.01  -0.03  -0.02     0.03  -0.03  -0.02
     5   6    -0.02   0.01  -0.01     0.00   0.01  -0.00    -0.02   0.01  -0.00
     6   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.01   0.00  -0.00
     7   1     0.08  -0.04  -0.07    -0.05  -0.01   0.02    -0.06   0.03   0.03
     8   1     0.11   0.00   0.03    -0.06  -0.03  -0.00    -0.07  -0.02  -0.01
     9   1    -0.03  -0.04   0.06    -0.02   0.00  -0.01    -0.01   0.00  -0.03
    10   1    -0.06   0.04   0.01    -0.01   0.00   0.02    -0.00   0.01   0.01
    11   6     0.00  -0.00  -0.02    -0.01  -0.00  -0.00     0.00   0.00   0.01
    12   1     0.02  -0.03  -0.04    -0.01  -0.00  -0.00     0.01   0.03   0.02
    13   1     0.03  -0.01  -0.05     0.00  -0.03  -0.05     0.07  -0.04  -0.06
    14   1     0.02  -0.04  -0.01    -0.02  -0.06  -0.01     0.02  -0.09  -0.00
    15   1    -0.05   0.03  -0.02    -0.03   0.03  -0.02    -0.05   0.03  -0.02
    16   8    -0.03   0.01   0.04     0.03   0.05   0.03    -0.04   0.01   0.11
    17   6     0.04   0.03  -0.01    -0.03  -0.02  -0.01     0.26  -0.01  -0.01
    18   6     0.00   0.01  -0.02    -0.01  -0.01  -0.01    -0.03   0.02  -0.12
    19   6     0.04  -0.02   0.05    -0.03  -0.01   0.02    -0.03  -0.00   0.02
    20   1     0.04  -0.00  -0.05    -0.31  -0.47  -0.06     0.32  -0.03  -0.21
    21   1     0.04   0.07   0.05    -0.30   0.43   0.04     0.32   0.01   0.18
    22   1     0.12   0.04  -0.02     0.48  -0.04   0.00     0.41  -0.01  -0.01
    23   1    -0.09   0.09  -0.31    -0.05   0.03  -0.16     0.01  -0.01  -0.03
    24   1    -0.04   0.21   0.23    -0.03   0.09   0.10     0.06  -0.03  -0.28
    25   1     0.14  -0.28   0.04     0.04  -0.15   0.01    -0.18   0.11  -0.16
    26   1    -0.07   0.08  -0.30     0.01  -0.04   0.13     0.04  -0.06   0.26
    27   1     0.47  -0.09   0.15    -0.14  -0.03  -0.01    -0.29  -0.02  -0.05
    28   1    -0.23  -0.09   0.39     0.05   0.03  -0.06     0.14   0.07  -0.17
    29   6    -0.03   0.01   0.02     0.04   0.03   0.01    -0.05   0.00   0.04
    30   6    -0.05  -0.02  -0.01     0.01  -0.01  -0.01    -0.06  -0.02  -0.02
    31   8    -0.03   0.00   0.00     0.08   0.02  -0.01    -0.06  -0.00   0.00
    32   1    -0.05  -0.02  -0.01     0.01  -0.01  -0.01    -0.03  -0.03  -0.03
    33   1    -0.04  -0.04  -0.03     0.03  -0.04  -0.02    -0.05  -0.04  -0.07
    34   1    -0.09  -0.01  -0.01    -0.02  -0.00  -0.01    -0.13  -0.00  -0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    238.8776               243.1688               269.2593
 Red. masses --      2.2718                 2.9298                 2.3808
 Frc consts  --      0.0764                 0.1021                 0.1017
 IR Inten    --      1.8389                 1.3385                 0.3496
 RamAct Fr= 1--      0.8830                 0.4540                 1.8307
  Dep-P Fr= 1--      0.2647                 0.7466                 0.1972
  Dep-U Fr= 1--      0.4186                 0.8549                 0.3294
 Alpha2 Fr= 1--      0.0100                 0.0000                 0.0250
 Beta2  Fr= 1--      0.0616                 0.0647                 0.1005
 AlphaG Fr= 1--     -0.0127                -0.0001                 0.0148
 Gamma2 Fr= 1--     -0.2656                -0.0272                 0.1181
 Delta2 Fr= 1--     -0.1492                 0.0401                -0.0126
 Raman1 Fr= 1--       3.532                  1.816                  7.323
 ROA1   Fr= 1--     -30.270                 -1.331                 10.935
 CID1   Fr= 1--      -8.570                 -0.733                  1.493
 Raman2 Fr= 1--       0.739                  0.776                  1.206
 ROA2   Fr= 1--      -5.180                 -0.974                  2.935
 CID2   Fr= 1--      -7.007                 -1.255                  2.433
 Raman3 Fr= 1--       1.479                  1.552                  2.412
 ROA3   Fr= 1--     -30.270                 -1.331                 10.935
 CID3   Fr= 1--     -20.471                 -0.857                  4.533
 RC180  Fr= 1--      -0.163                  0.710                 -0.341
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.03   0.03    -0.11   0.08  -0.04    -0.00  -0.01  -0.03
     2   6    -0.04  -0.02   0.02    -0.05   0.04  -0.05     0.12  -0.00  -0.06
     3   6    -0.03  -0.02   0.00     0.01   0.08  -0.01     0.00  -0.01  -0.03
     4   6    -0.01  -0.06  -0.04     0.07  -0.05  -0.01     0.01  -0.02  -0.05
     5   6     0.00  -0.00  -0.02     0.04  -0.04  -0.01    -0.01   0.01  -0.02
     6   6    -0.02  -0.02  -0.00     0.00   0.03  -0.02     0.02  -0.00  -0.04
     7   1    -0.11  -0.00   0.07    -0.16   0.15   0.02    -0.03  -0.01   0.07
     8   1    -0.13  -0.07   0.00    -0.18   0.03  -0.08    -0.08  -0.01  -0.09
     9   1    -0.05  -0.04  -0.01    -0.05   0.05  -0.12     0.18   0.12  -0.13
    10   1    -0.04  -0.01   0.05    -0.02   0.02  -0.04     0.23  -0.11  -0.05
    11   6    -0.02  -0.01   0.00    -0.01   0.02  -0.01     0.04  -0.02  -0.01
    12   1    -0.03  -0.01   0.00     0.05   0.15   0.01    -0.01  -0.01  -0.01
    13   1     0.02  -0.07  -0.09     0.18  -0.05  -0.03     0.02  -0.02  -0.07
    14   1    -0.03  -0.12  -0.02     0.02  -0.13  -0.02     0.01  -0.05  -0.03
    15   1    -0.04   0.03  -0.05     0.05  -0.03  -0.03    -0.01   0.03  -0.04
    16   8     0.05   0.06   0.01     0.04  -0.09   0.07    -0.04   0.01   0.03
    17   6    -0.04   0.04   0.01     0.00   0.17  -0.00    -0.09   0.13  -0.02
    18   6    -0.07   0.04  -0.13     0.06  -0.14   0.02     0.06  -0.03   0.04
    19   6     0.01  -0.06   0.14    -0.15  -0.01   0.03     0.14  -0.06   0.12
    20   1     0.15   0.38   0.11     0.01   0.23   0.08    -0.16   0.09   0.13
    21   1     0.14  -0.27  -0.04     0.01   0.20   0.07    -0.16   0.24  -0.03
    22   1    -0.44   0.07  -0.03    -0.02   0.25  -0.13    -0.06   0.19  -0.13
    23   1    -0.12   0.07  -0.24     0.12  -0.10  -0.09     0.10  -0.06   0.15
    24   1     0.02   0.15  -0.15    -0.05  -0.14   0.16     0.04  -0.11  -0.01
    25   1    -0.15  -0.05  -0.15     0.16  -0.29   0.06     0.06   0.06   0.03
    26   1     0.04  -0.08   0.24    -0.21   0.08  -0.01     0.25  -0.18   0.39
    27   1    -0.01  -0.19   0.14    -0.11  -0.05   0.04    -0.08  -0.16   0.06
    28   1     0.05   0.03   0.20    -0.23  -0.09   0.07     0.33   0.13   0.02
    29   6     0.07   0.04  -0.00     0.02  -0.07   0.03    -0.06   0.01   0.02
    30   6     0.04  -0.00  -0.01     0.12   0.04  -0.02    -0.10  -0.03  -0.00
    31   8     0.13   0.03  -0.01    -0.05  -0.06   0.01    -0.08   0.01   0.01
    32   1     0.03  -0.00  -0.01     0.25   0.03  -0.03    -0.12  -0.03  -0.00
    33   1     0.06  -0.03  -0.02     0.05   0.16  -0.07    -0.07  -0.09  -0.01
    34   1     0.01   0.00  -0.01     0.17   0.04  -0.03    -0.16  -0.02  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    332.2799               349.7798               364.8409
 Red. masses --      2.1932                 2.8499                 2.3566
 Frc consts  --      0.1427                 0.2054                 0.1848
 IR Inten    --      1.6606                 0.9421                 0.6162
 RamAct Fr= 1--      0.2570                 1.8583                 0.2056
  Dep-P Fr= 1--      0.2298                 0.2461                 0.6878
  Dep-U Fr= 1--      0.3738                 0.3949                 0.8150
 Alpha2 Fr= 1--      0.0032                 0.0223                 0.0002
 Beta2  Fr= 1--      0.0160                 0.1223                 0.0279
 AlphaG Fr= 1--      0.0127                -0.0068                 0.0006
 Gamma2 Fr= 1--     -0.2030                 0.4263                -0.1521
 Delta2 Fr= 1--     -0.0449                 0.2080                -0.1529
 Raman1 Fr= 1--       1.028                  7.433                  0.822
 ROA1   Fr= 1--     -20.925                 47.586                -19.499
 CID1   Fr= 1--     -20.354                  6.402                -23.714
 Raman2 Fr= 1--       0.192                  1.468                  0.335
 ROA2   Fr= 1--      -4.513                  8.568                 -2.428
 CID2   Fr= 1--     -23.491                  5.837                 -7.245
 Raman3 Fr= 1--       0.384                  2.936                  0.670
 ROA3   Fr= 1--     -20.925                 47.586                -19.499
 CID3   Fr= 1--     -54.454                 16.210                -29.096
 RC180  Fr= 1--      -0.252                 -0.210                  0.630
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.09     0.05  -0.03  -0.03    -0.09   0.04  -0.02
     2   6     0.17   0.07   0.03     0.16   0.00  -0.06     0.03  -0.06  -0.08
     3   6     0.00   0.00   0.03    -0.08  -0.04  -0.01     0.00   0.01   0.06
     4   6     0.02  -0.04  -0.02    -0.11   0.05   0.01    -0.01   0.03   0.13
     5   6     0.03   0.04   0.00    -0.03   0.02  -0.00    -0.01  -0.05   0.08
     6   6     0.03   0.07   0.04    -0.02  -0.00  -0.02     0.00  -0.10   0.03
     7   1    -0.14   0.01   0.30     0.08  -0.13   0.02    -0.16   0.12   0.07
     8   1    -0.24  -0.09  -0.03     0.03   0.06  -0.08    -0.21   0.01  -0.12
     9   1     0.26   0.27  -0.08     0.25   0.18  -0.10     0.08   0.03  -0.21
    10   1     0.36  -0.09   0.10     0.29  -0.14  -0.08     0.13  -0.18  -0.11
    11   6     0.02   0.04   0.02    -0.07  -0.03  -0.01     0.00  -0.06   0.03
    12   1     0.00  -0.01   0.02    -0.10  -0.08  -0.02     0.01   0.09   0.11
    13   1     0.05  -0.05  -0.10    -0.21   0.06   0.08    -0.04   0.03   0.18
    14   1     0.00  -0.12   0.01    -0.09   0.17  -0.05     0.01   0.10   0.11
    15   1     0.11   0.05  -0.04    -0.02   0.02  -0.00    -0.02  -0.11   0.16
    16   8    -0.02  -0.04  -0.08    -0.01  -0.03   0.09     0.02   0.01  -0.05
    17   6    -0.03  -0.08   0.02     0.03   0.05  -0.02     0.03   0.09   0.08
    18   6     0.02   0.01  -0.11    -0.15   0.12   0.03    -0.03  -0.02  -0.07
    19   6    -0.04   0.05   0.00     0.01  -0.02  -0.01     0.07  -0.02  -0.12
    20   1    -0.05  -0.14  -0.01     0.02   0.03  -0.04     0.03   0.13   0.16
    21   1    -0.05  -0.13  -0.11     0.02   0.10   0.06     0.03   0.20   0.23
    22   1    -0.06  -0.16   0.16     0.11   0.08  -0.08     0.09   0.21  -0.12
    23   1     0.01   0.08  -0.36    -0.29   0.12   0.02    -0.08   0.03  -0.21
    24   1     0.03   0.16   0.01    -0.09   0.23   0.05     0.02   0.11  -0.02
    25   1     0.00  -0.25  -0.10    -0.12   0.16   0.04    -0.07  -0.15  -0.07
    26   1    -0.07   0.09  -0.05     0.01  -0.05  -0.04     0.06  -0.05  -0.32
    27   1     0.01   0.05   0.02     0.06  -0.02   0.01     0.19   0.17  -0.10
    28   1    -0.09  -0.00   0.03    -0.01   0.01   0.04     0.03  -0.09  -0.13
    29   6    -0.03  -0.03  -0.03     0.02  -0.08   0.05     0.01   0.04  -0.03
    30   6    -0.01   0.00   0.01     0.14   0.04  -0.02    -0.05  -0.02   0.01
    31   8    -0.07  -0.03   0.02     0.02  -0.09   0.00     0.02   0.04  -0.00
    32   1    -0.02   0.02   0.02     0.33   0.01  -0.03    -0.14  -0.00   0.02
    33   1    -0.02   0.03   0.04     0.03   0.23  -0.08     0.00  -0.10   0.05
    34   1     0.05  -0.01   0.02     0.23   0.06  -0.04    -0.07  -0.03   0.02
                     16                     17                     18
                      A                      A                      A
 Frequencies --    404.1479               432.5107               475.9392
 Red. masses --      2.5491                 2.0021                 2.6144
 Frc consts  --      0.2453                 0.2207                 0.3489
 IR Inten    --      0.3012                 0.1368                 1.1013
 RamAct Fr= 1--      0.6182                 0.1844                 1.1136
  Dep-P Fr= 1--      0.4337                 0.4239                 0.7374
  Dep-U Fr= 1--      0.6050                 0.5954                 0.8488
 Alpha2 Fr= 1--      0.0040                 0.0013                 0.0002
 Beta2  Fr= 1--      0.0623                 0.0183                 0.1575
 AlphaG Fr= 1--     -0.0032                 0.0013                -0.0031
 Gamma2 Fr= 1--      0.0810                -0.0890                -0.1320
 Delta2 Fr= 1--      0.2577                -0.1131                -0.4785
 Raman1 Fr= 1--       2.473                  0.738                  4.454
 ROA1   Fr= 1--      16.025                -12.166                -27.983
 CID1   Fr= 1--       6.481                -16.495                 -6.282
 Raman2 Fr= 1--       0.748                  0.220                  1.891
 ROA2   Fr= 1--      -0.117                 -1.232                  0.661
 CID2   Fr= 1--      -0.157                 -5.611                  0.350
 Raman3 Fr= 1--       1.496                  0.439                  3.781
 ROA3   Fr= 1--      16.025                -12.166                -27.983
 CID3   Fr= 1--      10.712                -27.702                 -7.401
 RC180  Fr= 1--       0.210                  0.191                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01   0.03    -0.11  -0.09   0.05     0.00   0.01  -0.01
     2   6    -0.07   0.04   0.04    -0.03  -0.04   0.03    -0.00   0.07   0.02
     3   6    -0.08   0.01   0.01     0.08  -0.05  -0.07     0.08   0.01  -0.07
     4   6    -0.10   0.08  -0.02     0.01   0.14   0.06     0.11  -0.05   0.08
     5   6    -0.03   0.05  -0.01     0.02   0.03   0.03    -0.05   0.06   0.09
     6   6    -0.01   0.05   0.01     0.01   0.01  -0.05    -0.11   0.06   0.02
     7   1    -0.03  -0.02  -0.01    -0.25   0.09   0.24    -0.06   0.08   0.07
     8   1    -0.02   0.02   0.06    -0.28  -0.32  -0.03    -0.06  -0.12  -0.02
     9   1    -0.09  -0.01   0.05    -0.04  -0.04  -0.01     0.03   0.14   0.05
    10   1    -0.09   0.09   0.08    -0.01  -0.00   0.14     0.04   0.01   0.00
    11   6    -0.01   0.01   0.01     0.04   0.00  -0.09    -0.10  -0.01  -0.09
    12   1    -0.13  -0.01   0.05     0.12  -0.08  -0.13     0.21   0.03  -0.16
    13   1    -0.18   0.08   0.03    -0.27   0.17   0.26     0.24  -0.07  -0.12
    14   1    -0.10   0.16  -0.06     0.16   0.46   0.01     0.17  -0.26   0.25
    15   1    -0.01   0.06  -0.03     0.00  -0.02   0.10     0.01   0.01   0.13
    16   8    -0.04   0.01   0.06    -0.00   0.00   0.02    -0.07   0.02  -0.09
    17   6    -0.01  -0.02  -0.00     0.01  -0.00  -0.07     0.03  -0.00   0.01
    18   6     0.07  -0.16  -0.09     0.05   0.04   0.01    -0.10  -0.07   0.05
    19   6     0.19   0.03  -0.05    -0.02  -0.04   0.01     0.06  -0.06   0.00
    20   1    -0.00  -0.04  -0.05     0.02  -0.00  -0.10     0.09  -0.01  -0.19
    21   1    -0.00  -0.06  -0.04     0.02  -0.02  -0.07     0.10  -0.04   0.13
    22   1    -0.01  -0.07   0.07     0.01  -0.02  -0.04     0.13  -0.04   0.07
    23   1     0.28  -0.15  -0.16    -0.02   0.03   0.06    -0.08  -0.10   0.15
    24   1     0.02  -0.27  -0.13     0.01   0.05   0.08    -0.22  -0.15   0.12
    25   1    -0.04  -0.30  -0.11     0.17   0.08   0.04     0.05  -0.00   0.09
    26   1     0.28  -0.14  -0.13    -0.07   0.05   0.08     0.17  -0.22   0.05
    27   1     0.26   0.14  -0.03    -0.02  -0.18   0.01     0.10  -0.13   0.01
    28   1     0.27   0.15  -0.04    -0.07  -0.04   0.08     0.16   0.16   0.08
    29   6    -0.01  -0.05   0.04    -0.00  -0.01   0.01    -0.04  -0.03  -0.07
    30   6     0.07   0.03  -0.01     0.00  -0.00  -0.00     0.01   0.05   0.00
    31   8     0.03  -0.05  -0.00    -0.01  -0.01  -0.00     0.07  -0.03   0.02
    32   1     0.20   0.01  -0.02     0.02  -0.01  -0.00     0.02   0.10   0.03
    33   1    -0.01   0.16  -0.05    -0.00   0.01  -0.01    -0.06   0.18   0.06
    34   1     0.12   0.05  -0.03    -0.00   0.01  -0.01     0.19  -0.00   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    515.3474               527.4292               583.7146
 Red. masses --      3.1022                 3.0514                 4.0219
 Frc consts  --      0.4854                 0.5001                 0.8074
 IR Inten    --      2.7768                 2.1562                 1.2722
 RamAct Fr= 1--      1.3399                 2.4002                 1.7470
  Dep-P Fr= 1--      0.5394                 0.1405                 0.4994
  Dep-U Fr= 1--      0.7008                 0.2464                 0.6661
 Alpha2 Fr= 1--      0.0054                 0.0380                 0.0087
 Beta2  Fr= 1--      0.1565                 0.0986                 0.1939
 AlphaG Fr= 1--     -0.0009                 0.0191                 0.0091
 Gamma2 Fr= 1--     -0.0077                -0.0800                 0.2646
 Delta2 Fr= 1--      0.1521                -0.0965                 0.0416
 Raman1 Fr= 1--       5.360                  9.601                  6.988
 ROA1   Fr= 1--       4.126                -10.770                 26.727
 CID1   Fr= 1--       0.770                 -1.122                  3.825
 Raman2 Fr= 1--       1.878                  1.183                  2.327
 ROA2   Fr= 1--      -1.402                 -1.149                  6.017
 CID2   Fr= 1--      -0.746                 -0.971                  2.585
 Raman3 Fr= 1--       3.756                  2.365                  4.655
 ROA3   Fr= 1--       4.126                -10.770                 26.727
 CID3   Fr= 1--       1.098                 -4.553                  5.742
 RC180  Fr= 1--       0.402                 -0.507                  0.332
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.08  -0.04     0.02  -0.02   0.03     0.06   0.08   0.21
     2   6     0.02  -0.09  -0.05     0.03   0.04   0.03     0.05  -0.15   0.10
     3   6    -0.01  -0.05  -0.03    -0.04  -0.00  -0.03     0.08   0.14   0.08
     4   6    -0.05  -0.06   0.05    -0.02  -0.01   0.05     0.11   0.10  -0.10
     5   6    -0.11  -0.08   0.04     0.06  -0.12  -0.01    -0.05  -0.10  -0.13
     6   6    -0.10  -0.07   0.00    -0.07   0.04  -0.04    -0.05  -0.12  -0.07
     7   1     0.06  -0.13  -0.11     0.04  -0.08   0.03    -0.04   0.25   0.28
     8   1     0.07  -0.00  -0.02     0.04  -0.01   0.05    -0.08  -0.02   0.12
     9   1     0.13   0.12  -0.07     0.11   0.19   0.05     0.12  -0.01   0.07
    10   1     0.17  -0.28  -0.11     0.14  -0.07   0.03     0.12  -0.27   0.03
    11   6     0.02   0.14  -0.02    -0.13   0.09  -0.05    -0.03   0.00   0.04
    12   1     0.03  -0.08  -0.09     0.06  -0.05  -0.14     0.02  -0.01   0.03
    13   1    -0.10  -0.05   0.11    -0.07   0.01   0.22     0.30   0.10  -0.02
    14   1     0.03   0.01   0.08    -0.03   0.16  -0.06    -0.03   0.01  -0.16
    15   1    -0.17  -0.10   0.08     0.09  -0.13  -0.00    -0.19  -0.13  -0.05
    16   8    -0.06   0.01  -0.02     0.15  -0.08   0.02    -0.06  -0.01  -0.01
    17   6     0.01   0.01   0.02     0.01   0.01  -0.08    -0.02  -0.00  -0.13
    18   6     0.15   0.02  -0.03    -0.11  -0.08   0.01    -0.08  -0.04   0.02
    19   6    -0.04   0.21   0.09     0.02   0.11   0.03    -0.00   0.03  -0.00
    20   1     0.08   0.06  -0.05     0.06   0.02  -0.20    -0.02   0.01  -0.08
    21   1     0.07   0.02   0.21     0.06  -0.04  -0.01    -0.02   0.02  -0.09
    22   1     0.08   0.06  -0.07     0.05  -0.02  -0.03    -0.02   0.04  -0.20
    23   1     0.39   0.02  -0.05     0.07  -0.09   0.02    -0.05  -0.04   0.01
    24   1     0.03  -0.14  -0.02    -0.24  -0.23   0.04    -0.11  -0.05   0.06
    25   1     0.15  -0.08  -0.03    -0.06  -0.14   0.03    -0.04  -0.07   0.03
    26   1    -0.08   0.30   0.17     0.12  -0.05   0.02     0.01  -0.01  -0.10
    27   1    -0.08   0.08   0.08     0.12   0.07   0.05    -0.00   0.20  -0.01
    28   1    -0.08   0.18   0.12     0.08   0.30   0.13     0.02  -0.02  -0.09
    29   6    -0.04  -0.01  -0.03     0.10   0.08   0.02    -0.05   0.01   0.09
    30   6    -0.01   0.05  -0.00     0.01  -0.08   0.01    -0.06   0.07  -0.00
    31   8     0.10  -0.01   0.00    -0.08   0.09  -0.02     0.10  -0.02  -0.04
    32   1     0.03   0.07   0.01    -0.16  -0.10  -0.01     0.13  -0.02  -0.06
    33   1    -0.07   0.16   0.01     0.17  -0.36  -0.00    -0.13   0.17  -0.11
    34   1     0.09   0.03   0.01    -0.23  -0.05   0.00    -0.13   0.16  -0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --    594.1335               620.7999               643.4786
 Red. masses --      3.2791                 2.8896                 4.2901
 Frc consts  --      0.6820                 0.6561                 1.0466
 IR Inten    --      1.0149                 3.8869                 3.4528
 RamAct Fr= 1--      3.4803                 0.8857                15.5855
  Dep-P Fr= 1--      0.2817                 0.0868                 0.0248
  Dep-U Fr= 1--      0.4396                 0.1597                 0.0484
 Alpha2 Fr= 1--      0.0377                 0.0160                 0.3268
 Beta2  Fr= 1--      0.2550                 0.0236                 0.1256
 AlphaG Fr= 1--      0.0133                -0.0250                -0.0989
 Gamma2 Fr= 1--      0.4376                -0.1075                -0.8511
 Delta2 Fr= 1--      0.5032                -0.0552                -0.2240
 Raman1 Fr= 1--      13.921                  3.543                 62.342
 ROA1   Fr= 1--      58.110                -12.092                -88.870
 CID1   Fr= 1--       4.174                 -3.413                 -1.426
 Raman2 Fr= 1--       3.060                  0.283                  1.508
 ROA2   Fr= 1--       6.477                 -2.139                -18.633
 CID2   Fr= 1--       2.117                 -7.564                -12.359
 Raman3 Fr= 1--       6.120                  0.566                  3.015
 ROA3   Fr= 1--      58.110                -12.092                -88.870
 CID3   Fr= 1--       9.495                -21.377                -29.473
 RC180  Fr= 1--      -0.121                 -0.681                 -0.903
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07  -0.03    -0.01  -0.04  -0.04    -0.00   0.06   0.03
     2   6    -0.00   0.05   0.01    -0.01   0.03  -0.03     0.02   0.17   0.06
     3   6     0.02   0.04  -0.13    -0.01  -0.05   0.03    -0.10   0.01   0.02
     4   6    -0.02   0.04  -0.12    -0.00  -0.05   0.10    -0.08  -0.09   0.09
     5   6    -0.03  -0.09  -0.08     0.02   0.04   0.06     0.03  -0.16   0.02
     6   6    -0.07  -0.01   0.12     0.03   0.04  -0.02    -0.00   0.08  -0.02
     7   1    -0.04   0.11   0.04     0.01  -0.09  -0.07     0.08  -0.10   0.01
     8   1    -0.05  -0.05  -0.04     0.02   0.00  -0.02     0.07   0.14   0.08
     9   1     0.07   0.18  -0.04    -0.05  -0.05  -0.00     0.03   0.18   0.08
    10   1     0.09  -0.12  -0.11    -0.05   0.11   0.03     0.04   0.18   0.09
    11   6     0.00   0.00  -0.10     0.00  -0.00   0.03     0.04  -0.02  -0.05
    12   1    -0.01   0.01  -0.12     0.05   0.01   0.03    -0.09   0.08   0.06
    13   1    -0.07   0.06   0.09    -0.00  -0.06  -0.02    -0.08  -0.08   0.28
    14   1     0.00   0.21  -0.20     0.05  -0.12   0.18    -0.13   0.06  -0.04
    15   1     0.00  -0.03  -0.17     0.11   0.00   0.08     0.13  -0.15  -0.03
    16   8     0.02  -0.04  -0.02    -0.02  -0.01  -0.14     0.01  -0.16   0.05
    17   6    -0.00  -0.05   0.29     0.00   0.02  -0.07     0.00   0.03  -0.11
    18   6     0.03   0.02  -0.00     0.00  -0.00   0.00     0.10   0.05  -0.02
    19   6     0.00  -0.07  -0.03    -0.00   0.01   0.01     0.00  -0.15  -0.06
    20   1     0.03  -0.05   0.18    -0.01   0.01  -0.04     0.03   0.00  -0.22
    21   1     0.04  -0.09   0.35    -0.01   0.02  -0.10     0.03  -0.03  -0.13
    22   1     0.04  -0.09   0.34    -0.01   0.02  -0.06     0.03  -0.03  -0.01
    23   1     0.00  -0.00   0.09     0.00   0.01  -0.03    -0.00   0.05   0.00
    24   1    -0.06  -0.02   0.08     0.04   0.02  -0.04     0.14   0.11  -0.02
    25   1     0.19   0.08   0.04    -0.06  -0.01  -0.02     0.12   0.12  -0.02
    26   1     0.01  -0.06   0.04    -0.00   0.02   0.00    -0.02  -0.10  -0.02
    27   1     0.02  -0.20  -0.02    -0.00   0.02   0.01     0.01  -0.23  -0.06
    28   1    -0.01  -0.00   0.05    -0.01   0.00   0.01    -0.03  -0.16  -0.02
    29   6     0.01   0.03   0.13    -0.01   0.02   0.29    -0.06   0.03  -0.04
    30   6    -0.01   0.01   0.01    -0.02   0.03   0.03    -0.17   0.15  -0.01
    31   8     0.02   0.01  -0.05     0.01  -0.02  -0.11     0.17   0.01   0.01
    32   1     0.14  -0.13  -0.08     0.40  -0.30  -0.16    -0.23   0.19   0.01
    33   1     0.01  -0.04  -0.13    -0.04   0.02  -0.30    -0.19   0.18   0.03
    34   1    -0.23   0.14  -0.08    -0.44   0.32  -0.19    -0.12   0.10   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    663.2653               750.7562               800.3926
 Red. masses --      3.1828                 2.5498                 2.2414
 Frc consts  --      0.8250                 0.8468                 0.8460
 IR Inten    --      2.6282                 2.4463                 2.0604
 RamAct Fr= 1--      4.4275                 3.6018                 3.2254
  Dep-P Fr= 1--      0.1822                 0.5360                 0.1859
  Dep-U Fr= 1--      0.3082                 0.6979                 0.3135
 Alpha2 Fr= 1--      0.0630                 0.0149                 0.0455
 Beta2  Fr= 1--      0.2274                 0.4190                 0.1685
 AlphaG Fr= 1--      0.0404                -0.0045                -0.0258
 Gamma2 Fr= 1--      0.6398                 0.2457                 0.3879
 Delta2 Fr= 1--      0.1972                 0.3793                -0.2374
 Raman1 Fr= 1--      17.710                 14.407                 12.902
 ROA1   Fr= 1--      67.735                 35.726                 29.637
 CID1   Fr= 1--       3.825                  2.480                  2.297
 Raman2 Fr= 1--       2.729                  5.028                  2.022
 ROA2   Fr= 1--      13.779                  2.862                 11.208
 CID2   Fr= 1--       5.049                  0.569                  5.542
 Raman3 Fr= 1--       5.459                 10.056                  4.045
 ROA3   Fr= 1--      67.735                 35.726                 29.637
 CID3   Fr= 1--      12.409                  3.553                  7.327
 RC180  Fr= 1--      -0.384                  0.396                 -0.373
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.07   0.10     0.01   0.06   0.06     0.07   0.09   0.00
     2   6    -0.00  -0.01   0.07     0.08  -0.08   0.01     0.05   0.14   0.01
     3   6    -0.08   0.08   0.03    -0.09   0.06  -0.04     0.07  -0.03  -0.06
     4   6    -0.07  -0.02   0.05    -0.08  -0.02   0.05    -0.06  -0.12   0.03
     5   6    -0.11  -0.00   0.05     0.03   0.02   0.05    -0.10  -0.11  -0.03
     6   6    -0.11  -0.04  -0.03     0.19  -0.08  -0.01     0.04  -0.04   0.00
     7   1     0.07   0.01   0.03     0.01  -0.00   0.15    -0.08   0.18   0.38
     8   1     0.08   0.14   0.14    -0.08   0.12  -0.03    -0.22  -0.11  -0.19
     9   1     0.08   0.15   0.07    -0.12  -0.47  -0.01    -0.08  -0.13   0.22
    10   1     0.10  -0.14   0.02    -0.20   0.21   0.04    -0.22   0.34  -0.11
    11   6     0.03  -0.00  -0.09    -0.06   0.06  -0.18     0.03  -0.02   0.04
    12   1    -0.12   0.04   0.03    -0.01  -0.01  -0.16     0.14  -0.02  -0.10
    13   1     0.17  -0.04  -0.13     0.08  -0.04  -0.08    -0.21  -0.09   0.28
    14   1    -0.12  -0.29   0.15    -0.13  -0.19   0.09     0.04   0.15  -0.04
    15   1    -0.20  -0.04   0.13     0.02   0.00   0.07    -0.21  -0.04  -0.09
    16   8     0.01   0.08  -0.04     0.01   0.00   0.00    -0.05   0.07  -0.01
    17   6    -0.01   0.01  -0.08     0.04  -0.02   0.05     0.01  -0.01  -0.03
    18   6     0.15   0.07  -0.03    -0.02   0.00  -0.04    -0.02  -0.03   0.01
    19   6     0.01  -0.13  -0.05    -0.01   0.04  -0.02     0.01   0.03   0.02
    20   1     0.07   0.04  -0.26    -0.05  -0.04   0.32    -0.02   0.01   0.09
    21   1     0.07  -0.02   0.10    -0.06   0.05  -0.10    -0.03   0.04  -0.06
    22   1     0.09   0.01  -0.10    -0.07   0.03  -0.03    -0.03   0.05  -0.12
    23   1     0.12   0.06   0.04     0.01  -0.03   0.09    -0.08  -0.02  -0.02
    24   1     0.09   0.05   0.03    -0.22  -0.13   0.09     0.06   0.03  -0.03
    25   1     0.28   0.13  -0.00     0.20   0.05   0.02    -0.10  -0.03  -0.01
    26   1    -0.03  -0.06   0.02     0.03   0.01   0.10    -0.02   0.07  -0.01
    27   1    -0.04  -0.23  -0.06     0.03  -0.20  -0.01    -0.02   0.12   0.02
    28   1    -0.02  -0.14  -0.03    -0.00   0.24   0.15    -0.00  -0.04  -0.04
    29   6     0.06   0.01   0.02    -0.02  -0.02   0.00    -0.01   0.01  -0.00
    30   6     0.14  -0.12   0.01    -0.03   0.02   0.00     0.06  -0.06   0.00
    31   8    -0.09   0.02  -0.01     0.00  -0.02   0.00    -0.01   0.02  -0.00
    32   1     0.15  -0.15  -0.01    -0.01   0.02  -0.00     0.11  -0.05   0.01
    33   1     0.19  -0.19  -0.02    -0.06   0.06  -0.01     0.04  -0.01  -0.00
    34   1     0.07  -0.08  -0.01    -0.02   0.03  -0.00     0.11  -0.05  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    835.4460               849.7820               897.2153
 Red. masses --      1.7711                 2.1290                 2.2565
 Frc consts  --      0.7283                 0.9058                 1.0702
 IR Inten    --      3.9228                 0.5607                 1.3251
 RamAct Fr= 1--      4.5006                 2.7674                 2.7568
  Dep-P Fr= 1--      0.0125                 0.0169                 0.2711
  Dep-U Fr= 1--      0.0246                 0.0331                 0.4266
 Alpha2 Fr= 1--      0.0971                 0.0591                 0.0308
 Beta2  Fr= 1--      0.0185                 0.0153                 0.1960
 AlphaG Fr= 1--     -0.1115                -0.0206                 0.0377
 Gamma2 Fr= 1--      0.1680                -0.1753                 0.7234
 Delta2 Fr= 1--      0.1911                -0.0046                 0.2903
 Raman1 Fr= 1--      18.002                 11.070                 11.027
 ROA1   Fr= 1--      22.242                -16.979                 78.732
 CID1   Fr= 1--       1.236                 -1.534                  7.140
 Raman2 Fr= 1--       0.222                  0.183                  2.352
 ROA2   Fr= 1--       2.503                 -4.172                 15.039
 CID2   Fr= 1--      11.283                -22.742                  6.394
 Raman3 Fr= 1--       0.444                  0.367                  4.704
 ROA3   Fr= 1--      22.242                -16.979                 78.732
 CID3   Fr= 1--      50.132                -46.278                 16.736
 RC180  Fr= 1--      -0.951                 -0.934                 -0.147
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.06   0.05     0.07   0.07   0.02     0.02   0.09   0.15
     2   6    -0.05  -0.01  -0.00     0.01  -0.09  -0.08    -0.09   0.10  -0.08
     3   6     0.06  -0.03   0.07     0.09  -0.09   0.16     0.06  -0.10  -0.06
     4   6     0.02  -0.11   0.04    -0.07  -0.05  -0.01    -0.07   0.02  -0.07
     5   6     0.05  -0.02  -0.07     0.05   0.07  -0.02    -0.01   0.06   0.09
     6   6     0.05   0.00   0.01    -0.09   0.06   0.02     0.01  -0.08  -0.00
     7   1     0.08   0.03  -0.34    -0.10   0.31   0.24     0.04   0.18  -0.03
     8   1     0.24   0.22   0.26    -0.23   0.08  -0.26     0.14  -0.01   0.29
     9   1     0.05   0.20  -0.29    -0.05  -0.21   0.11    -0.04   0.21  -0.33
    10   1     0.20  -0.21   0.09    -0.20  -0.01  -0.28     0.08  -0.07  -0.08
    11   6    -0.01   0.03  -0.04    -0.03   0.01  -0.03     0.02  -0.01   0.02
    12   1     0.21   0.04  -0.01     0.11  -0.16   0.09     0.05  -0.35  -0.22
    13   1    -0.25  -0.08   0.29    -0.25  -0.05  -0.10    -0.20   0.00  -0.34
    14   1     0.03   0.23  -0.14    -0.16  -0.01  -0.10     0.03  -0.11   0.09
    15   1    -0.02   0.08  -0.17     0.17   0.12  -0.13     0.03  -0.01   0.17
    16   8    -0.02   0.11  -0.01     0.01  -0.03   0.01     0.04  -0.06  -0.00
    17   6     0.02   0.00  -0.01    -0.04   0.03  -0.01     0.01  -0.05  -0.02
    18   6    -0.03   0.00  -0.01     0.03   0.02  -0.02    -0.01  -0.01   0.01
    19   6     0.00  -0.02  -0.03    -0.01  -0.01  -0.02     0.01   0.01   0.02
    20   1    -0.04  -0.03   0.09     0.04   0.01  -0.28     0.02   0.07   0.17
    21   1    -0.03   0.01  -0.14     0.07  -0.07   0.12    -0.02   0.08   0.12
    22   1    -0.05  -0.02   0.04     0.09  -0.05   0.12    -0.01   0.12  -0.30
    23   1     0.00  -0.02   0.04     0.07   0.00   0.04    -0.03  -0.01  -0.01
    24   1    -0.11  -0.05   0.05    -0.07  -0.04   0.05     0.03   0.01  -0.01
    25   1     0.07   0.02   0.02     0.15   0.02   0.01    -0.05  -0.02  -0.00
    26   1     0.01  -0.03   0.03     0.02  -0.05   0.03    -0.02   0.06   0.01
    27   1     0.03  -0.13  -0.02     0.04  -0.13  -0.01    -0.03   0.04   0.01
    28   1    -0.00   0.06   0.06    -0.00   0.09   0.07    -0.01  -0.05  -0.02
    29   6    -0.02  -0.02   0.00     0.01  -0.00  -0.00     0.02  -0.01   0.00
    30   6    -0.00  -0.02   0.00    -0.01   0.02  -0.00    -0.02   0.04  -0.00
    31   8    -0.02  -0.03   0.01     0.00  -0.00   0.00     0.01  -0.01  -0.00
    32   1     0.09  -0.01   0.01    -0.05   0.02  -0.00    -0.10   0.03  -0.01
    33   1    -0.07   0.10  -0.01     0.01  -0.02   0.00     0.03  -0.05   0.00
    34   1     0.08  -0.01  -0.01    -0.05   0.02   0.00    -0.11   0.04   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    922.8173               931.8169               952.4276
 Red. masses --      2.9725                 2.8888                 1.9633
 Frc consts  --      1.4914                 1.4778                 1.0493
 IR Inten    --      5.2079                 0.4467                 2.5927
 RamAct Fr= 1--      5.8687                 2.4244                 3.7380
  Dep-P Fr= 1--      0.0885                 0.6740                 0.3864
  Dep-U Fr= 1--      0.1626                 0.8053                 0.5574
 Alpha2 Fr= 1--      0.1057                 0.0033                 0.0290
 Beta2  Fr= 1--      0.1591                 0.3254                 0.3473
 AlphaG Fr= 1--      0.0325                -0.0003                -0.0080
 Gamma2 Fr= 1--     -0.5262                -2.2990                -1.1682
 Delta2 Fr= 1--     -0.7200                -0.4028                -1.1191
 Raman1 Fr= 1--      23.475                  9.697                 14.952
 ROA1   Fr= 1--     -73.554               -233.590               -147.958
 CID1   Fr= 1--      -3.133                -24.088                 -9.896
 Raman2 Fr= 1--       1.909                  3.905                  4.167
 ROA2   Fr= 1--      -6.869                -51.953                -19.083
 CID2   Fr= 1--      -3.599                -13.306                 -4.580
 Raman3 Fr= 1--       3.818                  7.809                  8.334
 ROA3   Fr= 1--     -73.554               -233.590               -147.958
 CID3   Fr= 1--     -19.267                -29.912                -17.753
 RC180  Fr= 1--      -0.675                  0.611                  0.115
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.01     0.01  -0.11   0.05     0.04  -0.02   0.05
     2   6    -0.00   0.12   0.01    -0.02   0.15  -0.12    -0.02  -0.03  -0.06
     3   6    -0.06   0.01   0.03    -0.01  -0.07   0.19    -0.02   0.02  -0.08
     4   6     0.04   0.00  -0.02     0.12   0.08  -0.02    -0.00  -0.00   0.05
     5   6     0.13  -0.01   0.00    -0.04  -0.04  -0.05     0.01  -0.00  -0.04
     6   6    -0.07  -0.10  -0.02     0.02  -0.03  -0.02     0.01   0.03  -0.01
     7   1     0.02  -0.18   0.20     0.03  -0.20   0.11     0.01  -0.00   0.11
     8   1    -0.08  -0.07  -0.09    -0.01  -0.02   0.00    -0.04  -0.10   0.00
     9   1    -0.00   0.09   0.25    -0.08   0.04  -0.05    -0.03  -0.06  -0.05
    10   1    -0.08   0.14  -0.08    -0.07   0.23  -0.09    -0.04  -0.04  -0.12
    11   6    -0.00   0.01  -0.01    -0.06   0.05  -0.02    -0.12   0.08   0.09
    12   1    -0.12   0.06   0.12    -0.16  -0.14   0.27     0.17  -0.12  -0.33
    13   1     0.04   0.01   0.07     0.17   0.08   0.01     0.11  -0.01   0.08
    14   1    -0.04   0.08  -0.14     0.04   0.03  -0.06    -0.00  -0.01   0.05
    15   1     0.01   0.01   0.02    -0.08  -0.09   0.03     0.02   0.01  -0.07
    16   8     0.13   0.17  -0.02    -0.08  -0.04   0.01     0.03   0.03   0.00
    17   6    -0.06  -0.07  -0.00     0.04  -0.05   0.02     0.03   0.01   0.02
    18   6     0.00   0.01  -0.02     0.02   0.05  -0.03     0.06   0.10   0.05
    19   6     0.00   0.00  -0.00    -0.03  -0.03  -0.05    -0.05  -0.12  -0.00
    20   1     0.09   0.15  -0.01    -0.03   0.02   0.37    -0.04  -0.04   0.10
    21   1     0.05   0.04   0.48    -0.07   0.11   0.00    -0.03   0.01  -0.13
    22   1     0.10   0.15  -0.38    -0.08   0.10  -0.22    -0.05  -0.02   0.08
    23   1     0.06  -0.00   0.02     0.21   0.03   0.04     0.47   0.15  -0.18
    24   1    -0.07  -0.06   0.02    -0.18  -0.13   0.06     0.08  -0.07  -0.13
    25   1     0.08  -0.01   0.01     0.18  -0.01   0.02    -0.24  -0.20  -0.02
    26   1    -0.01   0.03   0.01     0.06  -0.16   0.04     0.09  -0.39  -0.20
    27   1    -0.01  -0.01  -0.01     0.08  -0.23  -0.02     0.06   0.16   0.02
    28   1    -0.01  -0.02   0.00     0.00   0.19   0.13     0.08  -0.01  -0.08
    29   6     0.04  -0.09   0.01    -0.04   0.05  -0.00     0.01  -0.02   0.00
    30   6    -0.11   0.06  -0.00     0.06  -0.05   0.00    -0.02   0.01  -0.00
    31   8    -0.05  -0.13   0.02     0.02   0.07  -0.01    -0.01  -0.02   0.00
    32   1    -0.03   0.07   0.01     0.09  -0.05   0.00    -0.01   0.02   0.00
    33   1    -0.22   0.23  -0.01     0.07  -0.06   0.00    -0.04   0.04  -0.00
    34   1    -0.03   0.07  -0.02     0.09  -0.06   0.00    -0.01   0.01  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    959.4235               963.7622               974.0698
 Red. masses --      1.6099                 1.6562                 1.7766
 Frc consts  --      0.8731                 0.9063                 0.9931
 IR Inten    --      0.2894                 0.6728                 5.8494
 RamAct Fr= 1--      4.1349                 1.2885                 4.2442
  Dep-P Fr= 1--      0.5502                 0.6927                 0.2955
  Dep-U Fr= 1--      0.7099                 0.8184                 0.4562
 Alpha2 Fr= 1--      0.0158                 0.0013                 0.0441
 Beta2  Fr= 1--      0.4892                 0.1758                 0.3227
 AlphaG Fr= 1--      0.0019                 0.0013                 0.0118
 Gamma2 Fr= 1--     -0.2095                 0.4758                 1.9858
 Delta2 Fr= 1--     -0.0332                -0.1017                 2.1494
 Raman1 Fr= 1--      16.539                  5.154                 16.977
 ROA1   Fr= 1--     -21.177                 42.422                259.418
 CID1   Fr= 1--      -1.280                  8.231                 15.281
 Raman2 Fr= 1--       5.870                  2.109                  3.873
 ROA2   Fr= 1--      -4.763                 12.233                 30.464
 CID2   Fr= 1--      -0.811                  5.800                  7.867
 Raman3 Fr= 1--      11.741                  4.218                  7.745
 ROA3   Fr= 1--     -21.177                 42.422                259.418
 CID3   Fr= 1--      -1.804                 10.057                 33.494
 RC180  Fr= 1--       0.420                  0.637                 -0.088
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03  -0.07    -0.02   0.02   0.10     0.07  -0.03   0.05
     2   6    -0.04   0.03   0.04     0.03  -0.02  -0.08    -0.07   0.02  -0.09
     3   6     0.07   0.01   0.03    -0.08  -0.01  -0.04    -0.03  -0.02   0.01
     4   6    -0.08   0.02   0.03     0.09  -0.02  -0.02    -0.02   0.06   0.05
     5   6    -0.02  -0.01  -0.04     0.03  -0.01   0.02    -0.00  -0.09  -0.02
     6   6     0.02  -0.01   0.00    -0.02   0.02  -0.01     0.02   0.06   0.00
     7   1    -0.07   0.16  -0.04     0.09  -0.19   0.05    -0.02   0.09   0.16
     8   1    -0.00  -0.21  -0.04     0.05   0.18   0.12    -0.03  -0.21   0.02
     9   1     0.05   0.21   0.03    -0.06  -0.19  -0.13    -0.02   0.12  -0.15
    10   1     0.11  -0.10   0.08    -0.10   0.10  -0.11     0.01  -0.12  -0.19
    11   6    -0.06  -0.06  -0.01    -0.02  -0.06  -0.01     0.06  -0.01  -0.02
    12   1     0.11   0.07   0.04    -0.12  -0.13  -0.09    -0.18  -0.19   0.02
    13   1     0.06   0.00  -0.12     0.01   0.00   0.17     0.31   0.03   0.01
    14   1    -0.20  -0.16   0.03     0.19   0.17  -0.03    -0.14  -0.18   0.07
    15   1    -0.03  -0.02  -0.02     0.06   0.02  -0.02    -0.11  -0.12   0.05
    16   8     0.03   0.01   0.01    -0.02   0.01  -0.01     0.04   0.07  -0.00
    17   6     0.04  -0.01  -0.01    -0.04   0.02   0.02     0.02   0.07   0.02
    18   6     0.08  -0.02  -0.04     0.07  -0.05  -0.02    -0.02  -0.05   0.03
    19   6    -0.08   0.04   0.03    -0.05   0.04   0.05     0.03   0.04  -0.04
    20   1    -0.04  -0.02   0.19     0.04   0.02  -0.20    -0.04  -0.09  -0.09
    21   1    -0.05   0.05  -0.14     0.06  -0.06   0.14     0.00  -0.06  -0.25
    22   1    -0.08   0.02  -0.06     0.08  -0.03   0.10    -0.03  -0.12   0.33
    23   1    -0.26  -0.04   0.09    -0.35  -0.05   0.06    -0.19  -0.02  -0.05
    24   1     0.15   0.18   0.06     0.24   0.22   0.01     0.15   0.10  -0.06
    25   1     0.24   0.23  -0.01     0.12   0.22  -0.02    -0.18  -0.02  -0.02
    26   1     0.14  -0.34  -0.12     0.09  -0.23  -0.13    -0.03   0.18   0.17
    27   1     0.14   0.21   0.08     0.08   0.29   0.07    -0.01  -0.28  -0.04
    28   1     0.10   0.35   0.07     0.09   0.19  -0.02    -0.06   0.06   0.11
    29   6     0.01  -0.01  -0.00    -0.01   0.01   0.00     0.00  -0.02   0.00
    30   6    -0.01   0.02  -0.00     0.00  -0.02   0.00    -0.03  -0.01   0.00
    31   8    -0.01  -0.02   0.00     0.00   0.01  -0.00    -0.02  -0.03   0.00
    32   1    -0.04   0.02  -0.00     0.06  -0.02   0.01     0.06   0.01   0.01
    33   1    -0.00   0.00   0.00    -0.03   0.04  -0.00    -0.11   0.12  -0.01
    34   1    -0.03   0.01   0.00     0.06  -0.02  -0.01     0.06  -0.00  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    998.5676              1008.0222              1023.8808
 Red. masses --      1.9984                 1.9673                 1.4903
 Frc consts  --      1.1740                 1.1778                 0.9205
 IR Inten    --      4.3657                 1.2269                17.0670
 RamAct Fr= 1--      2.6673                 5.0349                 1.4220
  Dep-P Fr= 1--      0.6972                 0.0350                 0.7495
  Dep-U Fr= 1--      0.8216                 0.0676                 0.8568
 Alpha2 Fr= 1--      0.0025                 0.1031                 0.0000
 Beta2  Fr= 1--      0.3652                 0.0568                 0.2031
 AlphaG Fr= 1--     -0.0040                -0.0601                 0.0009
 Gamma2 Fr= 1--     -1.0486                 0.0632                 0.5313
 Delta2 Fr= 1--     -1.0892                 0.3534                 0.4621
 Raman1 Fr= 1--      10.669                 20.140                  5.688
 ROA1   Fr= 1--    -135.522                 17.381                 65.788
 CID1   Fr= 1--     -12.702                  0.863                 11.566
 Raman2 Fr= 1--       4.383                  0.681                  2.437
 ROA2   Fr= 1--     -16.454                 -1.310                  9.053
 CID2   Fr= 1--      -3.754                 -1.923                  3.715
 Raman3 Fr= 1--       8.766                  1.362                  4.873
 ROA3   Fr= 1--    -135.522                 17.381                 65.788
 CID3   Fr= 1--     -15.461                 12.761                 13.499
 RC180  Fr= 1--       0.643                 -0.865                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.12   0.08     0.02   0.01  -0.03    -0.00   0.00  -0.02
     2   6    -0.02   0.03  -0.10    -0.01  -0.02   0.03    -0.00   0.01  -0.01
     3   6     0.04   0.13  -0.00     0.01   0.02  -0.03     0.01  -0.03   0.01
     4   6    -0.09  -0.02   0.08    -0.05   0.01  -0.05    -0.01   0.01  -0.06
     5   6     0.04   0.03  -0.06     0.14  -0.04   0.09    -0.02  -0.05   0.08
     6   6    -0.00   0.01  -0.03     0.01  -0.00   0.01     0.01   0.02   0.02
     7   1     0.05  -0.15   0.09    -0.04   0.11  -0.02    -0.01   0.01  -0.01
     8   1     0.10  -0.30   0.19    -0.01  -0.10  -0.02    -0.01   0.04  -0.04
     9   1    -0.06  -0.05  -0.18     0.02   0.05   0.01    -0.01   0.00  -0.01
    10   1    -0.01   0.07  -0.03     0.06  -0.08   0.05    -0.01  -0.00  -0.04
    11   6     0.03  -0.00  -0.01    -0.00   0.02   0.01    -0.00   0.01   0.01
    12   1     0.23   0.25  -0.07     0.03  -0.00  -0.06    -0.12  -0.11   0.06
    13   1     0.07  -0.03   0.05    -0.02   0.01  -0.12    -0.07   0.01  -0.09
    14   1    -0.27  -0.11  -0.03    -0.21  -0.06  -0.15     0.06   0.02  -0.01
    15   1     0.13   0.11  -0.20     0.23  -0.04   0.07    -0.08  -0.12   0.18
    16   8    -0.04  -0.02   0.02    -0.04  -0.00   0.01     0.06   0.02  -0.01
    17   6    -0.03  -0.02   0.03    -0.03  -0.03  -0.02     0.03   0.06  -0.01
    18   6    -0.03  -0.01  -0.04     0.00   0.00   0.03    -0.03   0.03  -0.08
    19   6     0.05  -0.01   0.06    -0.03  -0.00  -0.02     0.01  -0.03   0.07
    20   1     0.03   0.04  -0.05     0.05   0.07  -0.05    -0.06  -0.10  -0.04
    21   1     0.03  -0.02   0.20     0.03   0.01   0.17    -0.02  -0.03  -0.30
    22   1     0.05   0.02  -0.02     0.05   0.05  -0.15    -0.05  -0.08   0.23
    23   1    -0.07  -0.05   0.11     0.03   0.03  -0.07     0.09  -0.04   0.16
    24   1    -0.17  -0.06   0.09     0.10   0.03  -0.06    -0.35  -0.16   0.16
    25   1     0.20   0.07   0.02    -0.16  -0.05  -0.01     0.36   0.06   0.03
    26   1    -0.08   0.16  -0.09     0.04  -0.10   0.00    -0.03  -0.02  -0.17
    27   1    -0.11   0.25   0.01     0.04  -0.07  -0.00    -0.07   0.34   0.05
    28   1    -0.00  -0.32  -0.19     0.00   0.11   0.06     0.04  -0.25  -0.19
    29   6    -0.01   0.01  -0.00    -0.09   0.05  -0.00    -0.01  -0.00   0.00
    30   6     0.02  -0.01   0.00    -0.02  -0.14   0.02    -0.04  -0.04   0.00
    31   8     0.01   0.02  -0.00     0.02   0.09  -0.01    -0.01   0.00  -0.00
    32   1     0.02  -0.02  -0.00     0.44  -0.11   0.05     0.14  -0.01   0.02
    33   1     0.02  -0.02  -0.00    -0.29   0.34  -0.03    -0.16   0.18  -0.01
    34   1     0.02  -0.01   0.00     0.40  -0.08  -0.07     0.13  -0.01  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1049.0645              1057.8776              1068.4219
 Red. masses --      2.4918                 2.0512                 1.8246
 Frc consts  --      1.6157                 1.3525                 1.2271
 IR Inten    --     28.4579                61.1047                 7.4996
 RamAct Fr= 1--      0.7129                 2.0364                 0.0581
  Dep-P Fr= 1--      0.6851                 0.5297                 0.6399
  Dep-U Fr= 1--      0.8131                 0.6926                 0.7804
 Alpha2 Fr= 1--      0.0008                 0.0087                 0.0001
 Beta2  Fr= 1--      0.0966                 0.2351                 0.0076
 AlphaG Fr= 1--     -0.0099                -0.0095                 0.0046
 Gamma2 Fr= 1--      0.8679                 0.6092                -0.1303
 Delta2 Fr= 1--      0.0518                -0.0184                -0.0222
 Raman1 Fr= 1--       2.852                  8.146                  0.232
 ROA1   Fr= 1--      84.979                 57.897                -13.217
 CID1   Fr= 1--      29.801                  7.108                -56.879
 Raman2 Fr= 1--       1.159                  2.821                  0.091
 ROA2   Fr= 1--      20.416                 14.768                 -2.948
 CID2   Fr= 1--      17.610                  5.236                -32.518
 Raman3 Fr= 1--       2.319                  5.642                  0.181
 ROA3   Fr= 1--      84.979                 57.897                -13.217
 CID3   Fr= 1--      36.651                 10.263                -72.884
 RC180  Fr= 1--       0.626                  0.385                  0.561
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07   0.02     0.08   0.04  -0.02     0.01   0.00  -0.00
     2   6    -0.00  -0.01  -0.05    -0.09  -0.03   0.04    -0.01  -0.00   0.00
     3   6     0.06   0.11   0.01    -0.11  -0.02  -0.06    -0.01   0.00  -0.01
     4   6    -0.03  -0.05  -0.15     0.04  -0.03   0.03    -0.00  -0.01  -0.00
     5   6     0.03  -0.08   0.20     0.15   0.02   0.02     0.02  -0.00   0.01
     6   6     0.03   0.01   0.04    -0.01  -0.00   0.03     0.00   0.00   0.01
     7   1     0.03  -0.11   0.07    -0.03   0.12   0.22    -0.00   0.01   0.03
     8   1     0.05  -0.23   0.09    -0.13  -0.11  -0.16    -0.01  -0.03  -0.01
     9   1    -0.03  -0.06  -0.10     0.06   0.27   0.12     0.00   0.02   0.01
    10   1    -0.01   0.00  -0.05     0.05  -0.34  -0.22     0.01  -0.04  -0.02
    11   6     0.02   0.05   0.02     0.01  -0.02   0.00     0.00   0.00   0.00
    12   1    -0.03   0.29   0.20    -0.32  -0.17  -0.00    -0.03  -0.00   0.01
    13   1    -0.21  -0.02   0.01     0.12  -0.02   0.18    -0.00  -0.00   0.01
    14   1    -0.11   0.15  -0.33     0.05   0.05  -0.01     0.00   0.01  -0.00
    15   1    -0.07  -0.07   0.23     0.21   0.08  -0.08     0.04  -0.00   0.00
    16   8    -0.08   0.05  -0.02    -0.12   0.01   0.01    -0.02   0.00  -0.03
    17   6     0.00   0.04  -0.03     0.05  -0.02  -0.03     0.00  -0.00  -0.00
    18   6    -0.02  -0.01   0.02    -0.01   0.01  -0.04    -0.00   0.00  -0.00
    19   6    -0.05  -0.03  -0.04     0.01   0.00   0.03    -0.00  -0.00   0.00
    20   1     0.00  -0.01  -0.12    -0.04  -0.02   0.21    -0.00  -0.00   0.02
    21   1     0.02  -0.02  -0.10    -0.06   0.08  -0.15    -0.00   0.01  -0.01
    22   1     0.02  -0.03   0.07    -0.09   0.04  -0.11    -0.01   0.01  -0.02
    23   1    -0.00   0.01  -0.02     0.01  -0.02   0.08     0.00  -0.00   0.01
    24   1     0.01   0.00  -0.01    -0.14  -0.05   0.07    -0.01  -0.01   0.01
    25   1    -0.08  -0.03   0.00     0.17   0.03   0.01     0.01   0.00   0.00
    26   1     0.08  -0.22  -0.02    -0.03   0.06  -0.03     0.00  -0.01  -0.00
    27   1     0.10  -0.09  -0.00    -0.04   0.10   0.01     0.00   0.01   0.00
    28   1     0.03   0.20   0.08    -0.00  -0.10  -0.06     0.00   0.00  -0.00
    29   6     0.03  -0.01  -0.01    -0.00   0.01  -0.03     0.01   0.02   0.20
    30   6     0.05   0.07   0.00     0.06   0.03   0.02     0.00  -0.01  -0.17
    31   8    -0.01  -0.05   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.04
    32   1    -0.20  -0.00  -0.05    -0.06  -0.06  -0.04    -0.42   0.45   0.13
    33   1     0.24  -0.25  -0.01     0.17  -0.18  -0.03     0.03   0.01   0.36
    34   1    -0.25   0.07   0.03    -0.16   0.06   0.01     0.41  -0.43   0.18
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1071.2153              1107.5730              1138.9593
 Red. masses --      1.9177                 1.2571                 1.6063
 Frc consts  --      1.2965                 0.9086                 1.2277
 IR Inten    --     64.0902                 4.5976                19.2466
 RamAct Fr= 1--      4.7317                 5.0674                 2.5359
  Dep-P Fr= 1--      0.6820                 0.7481                 0.6952
  Dep-U Fr= 1--      0.8109                 0.8559                 0.8202
 Alpha2 Fr= 1--      0.0057                 0.0002                 0.0024
 Beta2  Fr= 1--      0.6395                 0.7229                 0.3466
 AlphaG Fr= 1--      0.0097                -0.0011                -0.0072
 Gamma2 Fr= 1--      1.0475                -1.4122                 0.0296
 Delta2 Fr= 1--     -0.0171                -0.6221                 0.4804
 Raman1 Fr= 1--      18.927                 20.270                 10.144
 ROA1   Fr= 1--     100.010               -155.478                 18.218
 CID1   Fr= 1--       5.284                 -7.671                  1.796
 Raman2 Fr= 1--       7.674                  8.674                  4.160
 ROA2   Fr= 1--      25.276                -28.916                 -3.132
 CID2   Fr= 1--       3.294                 -3.333                 -0.753
 Raman3 Fr= 1--      15.349                 17.348                  8.320
 ROA3   Fr= 1--     100.010               -155.478                 18.218
 CID3   Fr= 1--       6.516                 -8.962                  2.190
 RC180  Fr= 1--       0.622                  0.712                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02   0.04    -0.03  -0.01   0.02     0.01  -0.05  -0.01
     2   6    -0.04  -0.04  -0.03    -0.01   0.00  -0.00     0.01  -0.05  -0.03
     3   6    -0.02   0.08  -0.02     0.00   0.01   0.03     0.00   0.03   0.04
     4   6     0.02  -0.08  -0.02     0.01   0.01  -0.00     0.00  -0.02  -0.04
     5   6    -0.10   0.12   0.02     0.05  -0.01   0.00    -0.07  -0.00   0.08
     6   6    -0.04   0.00   0.05    -0.06  -0.00  -0.06    -0.02   0.11   0.00
     7   1     0.06  -0.16   0.23     0.08  -0.29   0.09    -0.08   0.26  -0.18
     8   1    -0.02  -0.15   0.02    -0.07   0.33  -0.12    -0.05   0.13  -0.12
     9   1     0.02   0.08   0.08     0.06   0.12   0.31     0.03  -0.01   0.08
    10   1    -0.04  -0.18  -0.25    -0.07  -0.07  -0.22     0.05   0.08   0.25
    11   6     0.01  -0.00   0.02    -0.00   0.04  -0.03    -0.01   0.08  -0.03
    12   1    -0.10   0.37   0.23     0.36   0.09  -0.21    -0.06  -0.37  -0.17
    13   1    -0.21  -0.05   0.13    -0.22   0.01  -0.24     0.25  -0.00   0.31
    14   1     0.26   0.19   0.04    -0.09  -0.02  -0.07    -0.16   0.07  -0.22
    15   1     0.06   0.17  -0.10    -0.07  -0.13   0.20     0.04   0.11  -0.11
    16   8     0.10  -0.06  -0.01    -0.02   0.00   0.00     0.03   0.01  -0.02
    17   6     0.06  -0.01  -0.03     0.06   0.00   0.03     0.03  -0.07  -0.01
    18   6     0.00  -0.02  -0.00     0.01  -0.05   0.02     0.01  -0.05   0.01
    19   6     0.00   0.00  -0.04     0.02  -0.01   0.01     0.03  -0.03   0.02
    20   1    -0.05  -0.03   0.23    -0.06  -0.07   0.22     0.02   0.06   0.26
    21   1    -0.08   0.09  -0.21    -0.05   0.05  -0.16    -0.07   0.13   0.05
    22   1    -0.11   0.04  -0.12    -0.11  -0.02   0.07    -0.06   0.08  -0.24
    23   1    -0.07  -0.02   0.01    -0.18  -0.02  -0.03    -0.20  -0.04  -0.00
    24   1     0.03   0.03   0.01     0.16   0.11  -0.03     0.13   0.12   0.00
    25   1     0.01   0.02  -0.00    -0.08   0.06  -0.01    -0.03   0.10  -0.01
    26   1     0.02   0.01   0.08    -0.03   0.07  -0.02    -0.04   0.06  -0.05
    27   1     0.04  -0.16  -0.03    -0.05   0.02  -0.01    -0.06   0.03  -0.01
    28   1    -0.02   0.10   0.09    -0.01  -0.13  -0.06     0.01  -0.18  -0.09
    29   6    -0.01  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
    30   6    -0.05  -0.04   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   8     0.00   0.03  -0.00     0.00   0.00  -0.00    -0.00  -0.01  -0.00
    32   1     0.14  -0.01   0.03    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    33   1    -0.18   0.18  -0.01     0.01  -0.01   0.00    -0.00   0.00   0.00
    34   1     0.13  -0.01  -0.03     0.00  -0.00   0.00    -0.01   0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1163.4795              1173.0882              1191.4361
 Red. masses --      2.2287                 2.1033                 1.8827
 Frc consts  --      1.7776                 1.7054                 1.5746
 IR Inten    --     10.3483                 2.2773                11.9063
 RamAct Fr= 1--      1.5840                 1.9450                 2.2710
  Dep-P Fr= 1--      0.5676                 0.7499                 0.4014
  Dep-U Fr= 1--      0.7242                 0.8570                 0.5728
 Alpha2 Fr= 1--      0.0055                 0.0000                 0.0167
 Beta2  Fr= 1--      0.1912                 0.2778                 0.2168
 AlphaG Fr= 1--     -0.0141                -0.0002                -0.0288
 Gamma2 Fr= 1--      1.3605                 0.4653                -1.2560
 Delta2 Fr= 1--      0.6331                 0.2155                -0.1962
 Raman1 Fr= 1--       6.336                  7.780                  9.084
 ROA1   Fr= 1--     150.863                 51.559               -126.856
 CID1   Fr= 1--      23.811                  6.627                -13.965
 Raman2 Fr= 1--       2.294                  3.334                  2.602
 ROA2   Fr= 1--      27.587                  9.442                -28.575
 CID2   Fr= 1--      12.024                  2.832                -10.983
 Raman3 Fr= 1--       4.588                  6.668                  5.204
 ROA3   Fr= 1--     150.863                 51.559               -126.856
 CID3   Fr= 1--      32.879                  7.732                -24.379
 RC180  Fr= 1--       0.448                  0.714                  0.146
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.02     0.09  -0.01  -0.01     0.01  -0.03  -0.04
     2   6     0.04  -0.04  -0.02    -0.08  -0.02   0.00    -0.07   0.04   0.04
     3   6     0.07  -0.01  -0.07    -0.04   0.02   0.04    -0.03   0.01   0.04
     4   6    -0.08   0.07   0.02    -0.01  -0.05   0.01     0.02   0.02  -0.02
     5   6     0.01  -0.10  -0.05    -0.02   0.02  -0.04    -0.07   0.05   0.01
     6   6    -0.01   0.08   0.12     0.11   0.02  -0.14     0.13  -0.09   0.14
     7   1     0.05  -0.20  -0.08    -0.02   0.12   0.15     0.05  -0.26   0.16
     8   1     0.01   0.29  -0.00    -0.11   0.03  -0.20    -0.12   0.21  -0.24
     9   1     0.03  -0.07   0.17     0.05   0.22   0.03    -0.02   0.14  -0.07
    10   1    -0.09  -0.03  -0.23     0.13  -0.09   0.23     0.03  -0.20  -0.20
    11   6     0.12   0.10   0.09     0.09   0.14  -0.02     0.02   0.04   0.01
    12   1    -0.08  -0.03   0.03    -0.15  -0.01   0.11     0.35  -0.16  -0.38
    13   1     0.06   0.04  -0.18    -0.26  -0.05  -0.08     0.18   0.03   0.13
    14   1     0.24  -0.15   0.42     0.36   0.05   0.29    -0.15   0.03  -0.18
    15   1     0.18  -0.01  -0.22    -0.20  -0.12   0.19    -0.05   0.13  -0.11
    16   8    -0.01   0.04   0.01    -0.00  -0.02   0.01     0.02  -0.03  -0.01
    17   6    -0.00  -0.04  -0.06    -0.06  -0.02   0.06    -0.06   0.04  -0.05
    18   6    -0.05  -0.03  -0.04    -0.04  -0.04   0.01    -0.01  -0.02  -0.02
    19   6    -0.04  -0.04  -0.04    -0.04  -0.06   0.02    -0.00  -0.02  -0.01
    20   1     0.04   0.08   0.04     0.05   0.07  -0.08     0.05   0.04  -0.34
    21   1    -0.04   0.08   0.04     0.07  -0.07   0.31     0.07  -0.11   0.02
    22   1    -0.00   0.09  -0.27     0.12  -0.03   0.08     0.14   0.00  -0.01
    23   1    -0.14  -0.07   0.13    -0.13  -0.03   0.00    -0.08  -0.03   0.04
    24   1    -0.16  -0.02   0.12    -0.01   0.02   0.01    -0.03   0.01   0.03
    25   1     0.11   0.05   0.01    -0.08   0.01  -0.00     0.03   0.04  -0.00
    26   1     0.07  -0.20   0.01     0.04  -0.22  -0.14     0.00  -0.02  -0.00
    27   1     0.11  -0.10  -0.00     0.06   0.11   0.03     0.01  -0.02  -0.01
    28   1     0.01   0.12   0.05     0.08   0.02  -0.09     0.02   0.02  -0.00
    29   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.04  -0.00   0.00
    30   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    31   8    -0.01  -0.01   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
    32   1    -0.01   0.00  -0.00     0.01  -0.00   0.00    -0.01  -0.01  -0.01
    33   1     0.00   0.00  -0.00    -0.01   0.01  -0.00     0.03  -0.04   0.01
    34   1    -0.01   0.01  -0.00     0.01  -0.00  -0.00    -0.00  -0.01   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1225.4023              1235.4490              1254.9673
 Red. masses --      1.9666                 1.6986                 1.8172
 Frc consts  --      1.7399                 1.5276                 1.6862
 IR Inten    --      2.6165                 0.6364                 5.7603
 RamAct Fr= 1--      5.5450                 1.7542                 5.2373
  Dep-P Fr= 1--      0.7496                 0.7372                 0.6305
  Dep-U Fr= 1--      0.8569                 0.8487                 0.7734
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0114
 Beta2  Fr= 1--      0.7919                 0.2481                 0.6750
 AlphaG Fr= 1--     -0.0003                 0.0004                 0.0188
 Gamma2 Fr= 1--      0.4012                -0.4957                 2.6063
 Delta2 Fr= 1--      0.1533                 0.0738                 0.8966
 Raman1 Fr= 1--      22.180                  7.017                 20.949
 ROA1   Fr= 1--      43.421                -45.229                278.898
 CID1   Fr= 1--       1.958                 -6.446                 13.313
 Raman2 Fr= 1--       9.503                  2.978                  8.101
 ROA2   Fr= 1--       8.403                -12.488                 55.378
 CID2   Fr= 1--       0.884                 -4.194                  6.836
 Raman3 Fr= 1--      19.006                  5.955                 16.201
 ROA3   Fr= 1--      43.421                -45.229                278.898
 CID3   Fr= 1--       2.285                 -7.595                 17.215
 RC180  Fr= 1--       0.714                  0.697                  0.547
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.01    -0.07  -0.01   0.03    -0.04   0.01  -0.04
     2   6     0.01  -0.02  -0.04     0.01   0.02  -0.02     0.08   0.04   0.03
     3   6    -0.04   0.05  -0.03     0.06   0.00  -0.03    -0.03  -0.01   0.03
     4   6    -0.00  -0.04  -0.01    -0.03  -0.02   0.03     0.02  -0.01   0.02
     5   6     0.02   0.04   0.00    -0.01   0.07   0.02     0.03   0.04  -0.03
     6   6    -0.01  -0.01  -0.09    -0.01  -0.06  -0.06    -0.02  -0.11   0.02
     7   1    -0.02   0.09  -0.08    -0.02   0.03  -0.17    -0.10   0.25  -0.23
     8   1     0.02  -0.04   0.04     0.05   0.14   0.09     0.19  -0.51   0.33
     9   1     0.07   0.08   0.27     0.10   0.16   0.47     0.01  -0.12   0.11
    10   1     0.04   0.12   0.23    -0.08   0.00  -0.22    -0.12  -0.01  -0.37
    11   6     0.01  -0.04   0.22     0.14  -0.03  -0.06    -0.03   0.18   0.02
    12   1     0.17  -0.20  -0.37    -0.21  -0.17   0.09    -0.12  -0.14   0.01
    13   1     0.05  -0.02   0.11     0.24  -0.02   0.25    -0.06  -0.01  -0.02
    14   1    -0.02   0.05  -0.08    -0.27  -0.01  -0.19     0.03   0.03   0.01
    15   1    -0.12  -0.09   0.22    -0.06   0.11  -0.02     0.02   0.00   0.03
    16   8    -0.01  -0.01  -0.00     0.01  -0.03  -0.00     0.00  -0.01   0.00
    17   6    -0.01   0.02   0.03     0.01   0.03   0.02     0.00   0.03  -0.01
    18   6    -0.00   0.00  -0.09    -0.05   0.03   0.03     0.02  -0.07  -0.01
    19   6     0.00   0.02  -0.09    -0.07  -0.00   0.02     0.02  -0.04  -0.01
    20   1    -0.02  -0.02   0.00    -0.03  -0.05  -0.00    -0.03  -0.05  -0.07
    21   1     0.02  -0.03   0.04     0.02  -0.04  -0.05     0.03  -0.06  -0.09
    22   1     0.00  -0.04   0.13    -0.01  -0.04   0.12     0.01  -0.03   0.09
    23   1    -0.01  -0.07   0.20     0.10   0.03  -0.03    -0.24  -0.05   0.01
    24   1    -0.17   0.01   0.15    -0.10  -0.13  -0.05     0.10   0.13   0.06
    25   1     0.31   0.08   0.00    -0.13  -0.16   0.02    -0.03   0.15  -0.03
    26   1     0.05   0.01   0.22     0.04  -0.19  -0.07    -0.01  -0.02  -0.06
    27   1     0.07  -0.32  -0.06     0.13   0.14   0.06    -0.05  -0.07  -0.02
    28   1    -0.10   0.12   0.18     0.10   0.21  -0.02    -0.01  -0.13  -0.06
    29   6     0.02   0.00   0.00    -0.01   0.00   0.00    -0.03   0.00   0.00
    30   6    -0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    31   8    -0.00   0.00  -0.00     0.00   0.01  -0.00     0.01   0.00  -0.00
    32   1     0.01   0.01   0.01     0.01   0.00   0.00     0.00  -0.01  -0.01
    33   1    -0.02   0.02  -0.00    -0.00   0.00   0.00     0.03  -0.03   0.00
    34   1     0.01   0.01  -0.01     0.01  -0.00  -0.00     0.00  -0.02   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1261.9467              1270.7586              1284.0382
 Red. masses --      1.6457                 3.7774                 1.6468
 Frc consts  --      1.5441                 3.5939                 1.5997
 IR Inten    --      2.8567               433.3801                 0.4647
 RamAct Fr= 1--      1.7892                 1.8554                 4.6053
  Dep-P Fr= 1--      0.7070                 0.3793                 0.7463
  Dep-U Fr= 1--      0.8284                 0.5500                 0.8548
 Alpha2 Fr= 1--      0.0013                 0.0148                 0.0003
 Beta2  Fr= 1--      0.2470                 0.1701                 0.6561
 AlphaG Fr= 1--      0.0040                -0.0218                -0.0010
 Gamma2 Fr= 1--     -0.6353                -0.3950                -2.5207
 Delta2 Fr= 1--     -0.5892                -0.2796                -0.8622
 Raman1 Fr= 1--       7.157                  7.421                 18.421
 ROA1   Fr= 1--     -79.843                -46.866               -269.580
 CID1   Fr= 1--     -11.156                 -6.315                -14.634
 Raman2 Fr= 1--       2.964                  2.041                  7.873
 ROA2   Fr= 1--     -10.534                 -7.243                -53.600
 CID2   Fr= 1--      -3.554                 -3.549                 -6.808
 Raman3 Fr= 1--       5.929                  4.082                 15.746
 ROA3   Fr= 1--     -79.843                -46.866               -269.580
 CID3   Fr= 1--     -13.467                -11.482                -17.121
 RC180  Fr= 1--       0.657                  0.100                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07  -0.01    -0.00  -0.03  -0.01    -0.03  -0.04   0.04
     2   6     0.02  -0.04   0.04     0.01   0.02   0.02     0.00  -0.01  -0.03
     3   6    -0.04  -0.11  -0.04     0.00   0.03   0.02    -0.02   0.03   0.03
     4   6     0.05   0.01   0.04     0.01  -0.01   0.00    -0.01  -0.00  -0.05
     5   6    -0.03   0.03  -0.03     0.01   0.01  -0.00    -0.01  -0.03  -0.01
     6   6     0.02   0.13  -0.01     0.02  -0.01   0.05     0.13   0.09   0.02
     7   1     0.04  -0.07   0.08    -0.03   0.05  -0.06    -0.10   0.29  -0.26
     8   1     0.05  -0.21   0.12    -0.00  -0.00  -0.02     0.06  -0.07   0.13
     9   1    -0.02  -0.09  -0.16    -0.03  -0.05  -0.10     0.11   0.16   0.48
    10   1    -0.07  -0.12  -0.23    -0.04  -0.03  -0.13    -0.10  -0.16  -0.45
    11   6     0.06   0.03   0.03    -0.01   0.01  -0.02    -0.08  -0.09  -0.03
    12   1     0.13   0.28   0.08    -0.05  -0.13  -0.06     0.11   0.08  -0.04
    13   1     0.08   0.01   0.04    -0.02  -0.00   0.05    -0.01   0.00   0.04
    14   1    -0.42  -0.03  -0.35     0.01   0.01  -0.01     0.23   0.02   0.15
    15   1    -0.34  -0.17   0.33    -0.35   0.12  -0.03    -0.10  -0.11   0.13
    16   8     0.01  -0.01  -0.01    -0.17  -0.07   0.00     0.00   0.00   0.00
    17   6    -0.01  -0.06  -0.00    -0.00  -0.00  -0.01    -0.04  -0.03  -0.01
    18   6    -0.02  -0.00  -0.02     0.01  -0.01   0.01     0.01   0.03   0.00
    19   6    -0.02  -0.01   0.01     0.01  -0.01   0.00     0.03   0.02   0.01
    20   1     0.06   0.10   0.08     0.01   0.01  -0.05     0.07   0.12  -0.04
    21   1    -0.04   0.08   0.15    -0.01   0.00  -0.03     0.02  -0.02   0.15
    22   1     0.02   0.04  -0.15     0.01   0.02  -0.04     0.12   0.02  -0.09
    23   1    -0.02  -0.02   0.06    -0.02   0.00  -0.02     0.11   0.03  -0.04
    24   1    -0.08  -0.02   0.04     0.03   0.02  -0.01     0.03  -0.01  -0.05
    25   1     0.05  -0.00  -0.00    -0.04   0.01  -0.00     0.03  -0.02   0.01
    26   1     0.02  -0.07  -0.03    -0.01   0.02  -0.02    -0.04   0.13   0.02
    27   1     0.04   0.02   0.02    -0.01   0.01  -0.00    -0.07   0.04  -0.01
    28   1     0.03   0.03  -0.02     0.02  -0.00  -0.01    -0.02  -0.04   0.02
    29   6     0.00   0.00   0.00     0.43   0.01  -0.02    -0.01   0.00  -0.00
    30   6    -0.00  -0.00   0.00    -0.10  -0.04   0.01     0.00   0.00  -0.00
    31   8    -0.00  -0.00  -0.00    -0.05   0.02  -0.00     0.00  -0.00   0.00
    32   1     0.00   0.00   0.00     0.02   0.22   0.16     0.00  -0.01  -0.01
    33   1    -0.01   0.01   0.00    -0.41   0.47  -0.04     0.01  -0.02   0.00
    34   1     0.00   0.00  -0.00     0.01   0.21  -0.20    -0.00  -0.01   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1308.0892              1313.3202              1336.6931
 Red. masses --      1.9067                 1.6191                 1.4825
 Frc consts  --      1.9223                 1.6454                 1.5606
 IR Inten    --      0.3603                 6.7086                 5.0582
 RamAct Fr= 1--      2.4814                 1.9443                 4.4921
  Dep-P Fr= 1--      0.6041                 0.5784                 0.7497
  Dep-U Fr= 1--      0.7532                 0.7329                 0.8570
 Alpha2 Fr= 1--      0.0067                 0.0063                 0.0000
 Beta2  Fr= 1--      0.3115                 0.2375                 0.6416
 AlphaG Fr= 1--     -0.0142                -0.0264                 0.0010
 Gamma2 Fr= 1--      0.5215                -0.5482                -0.4772
 Delta2 Fr= 1--      0.7638                -0.2572                -0.6739
 Raman1 Fr= 1--       9.925                  7.777                 17.968
 ROA1   Fr= 1--      74.504                -60.856                -67.376
 CID1   Fr= 1--       7.506                 -7.825                 -3.750
 Raman2 Fr= 1--       3.738                  2.850                  7.699
 ROA2   Fr= 1--       6.405                -11.098                 -6.062
 CID2   Fr= 1--       1.714                 -3.894                 -0.787
 Raman3 Fr= 1--       7.476                  5.700                 15.398
 ROA3   Fr= 1--      74.504                -60.856                -67.376
 CID3   Fr= 1--       9.966                -10.676                 -4.376
 RC180  Fr= 1--       0.506                  0.466                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.00    -0.03   0.11  -0.03     0.03  -0.01   0.04
     2   6    -0.01   0.01   0.06    -0.03  -0.06  -0.07     0.00   0.01  -0.02
     3   6     0.14  -0.04  -0.04     0.02  -0.07   0.00    -0.09  -0.12   0.01
     4   6    -0.11  -0.02  -0.05     0.03   0.04   0.01    -0.04   0.03  -0.07
     5   6     0.04   0.04   0.01    -0.05  -0.05   0.07     0.00   0.00   0.03
     6   6     0.04  -0.00  -0.10     0.07  -0.00  -0.05    -0.03  -0.05  -0.01
     7   1     0.09  -0.30   0.12     0.11  -0.34   0.22    -0.08   0.32  -0.08
     8   1    -0.03   0.23  -0.08     0.09  -0.29   0.21    -0.00   0.06  -0.01
     9   1    -0.04  -0.02  -0.17     0.13   0.23   0.44     0.02   0.04   0.04
    10   1    -0.04  -0.14  -0.23     0.05   0.04   0.22    -0.00   0.09   0.10
    11   6    -0.13   0.04   0.05    -0.05   0.03   0.01     0.04   0.04  -0.01
    12   1    -0.20   0.05   0.30     0.01   0.06   0.10     0.45   0.56   0.03
    13   1     0.48  -0.01   0.40    -0.02   0.04  -0.08     0.38   0.04   0.22
    14   1     0.07   0.00   0.09    -0.11  -0.06  -0.05     0.17   0.03   0.11
    15   1    -0.05  -0.02   0.13     0.14   0.26  -0.40     0.19   0.04  -0.07
    16   8    -0.00  -0.01   0.00    -0.01   0.00  -0.00    -0.02   0.00   0.00
    17   6    -0.02   0.00   0.02    -0.02   0.01   0.01     0.01   0.02   0.00
    18   6     0.03  -0.02  -0.01     0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    19   6     0.04  -0.01  -0.01     0.02  -0.01   0.01    -0.01   0.00   0.01
    20   1    -0.02   0.00   0.04     0.00   0.03  -0.00    -0.03  -0.05   0.00
    21   1     0.04  -0.04   0.11     0.04  -0.05   0.06     0.01  -0.02  -0.06
    22   1     0.04  -0.04   0.09     0.08  -0.03   0.06    -0.03  -0.01   0.05
    23   1    -0.05  -0.01   0.00    -0.04  -0.01   0.00    -0.05  -0.01   0.02
    24   1     0.07   0.09   0.04     0.02   0.03   0.02    -0.02  -0.02   0.01
    25   1     0.02   0.10  -0.02     0.01   0.04  -0.01    -0.02  -0.01  -0.01
    26   1    -0.03   0.11   0.03    -0.02   0.04  -0.02     0.02  -0.07  -0.04
    27   1    -0.09  -0.06  -0.04    -0.05   0.01  -0.01     0.02  -0.01   0.02
    28   1    -0.05  -0.09   0.04    -0.01  -0.05  -0.01     0.01  -0.01  -0.04
    29   6     0.00  -0.00   0.00     0.04  -0.00  -0.00     0.03  -0.00  -0.00
    30   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8     0.00   0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    32   1     0.00  -0.00  -0.00    -0.01   0.03   0.02    -0.01   0.03   0.02
    33   1    -0.00   0.00  -0.00    -0.03   0.04  -0.00    -0.03   0.03  -0.00
    34   1     0.00  -0.00   0.00    -0.01   0.03  -0.02    -0.01   0.02  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1342.0915              1363.1775              1397.1383
 Red. masses --      1.6697                 1.8310                 1.2701
 Frc consts  --      1.7719                 2.0047                 1.4607
 IR Inten    --      2.9502                 0.4529                48.8070
 RamAct Fr= 1--      3.2994                 1.0283                 1.6851
  Dep-P Fr= 1--      0.4338                 0.7150                 0.5723
  Dep-U Fr= 1--      0.6051                 0.8338                 0.7280
 Alpha2 Fr= 1--      0.0216                 0.0006                 0.0056
 Beta2  Fr= 1--      0.3327                 0.1429                 0.2045
 AlphaG Fr= 1--     -0.0108                 0.0118                -0.0259
 Gamma2 Fr= 1--      0.9455                 0.3992                 0.0418
 Delta2 Fr= 1--      0.5642                 0.4530                -0.0357
 Raman1 Fr= 1--      13.198                  4.113                  6.741
 ROA1   Fr= 1--     108.822                 52.818                  2.869
 CID1   Fr= 1--       8.246                 12.840                  0.426
 Raman2 Fr= 1--       3.993                  1.715                  2.454
 ROA2   Fr= 1--      18.178                  5.956                  1.288
 CID2   Fr= 1--       4.553                  3.473                  0.525
 Raman3 Fr= 1--       7.986                  3.430                  4.907
 ROA3   Fr= 1--     108.822                 52.818                  2.869
 CID3   Fr= 1--      13.627                 15.400                  0.585
 RC180  Fr= 1--       0.210                  0.668                  0.456
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.07  -0.08    -0.01   0.05  -0.01     0.00   0.00  -0.00
     2   6     0.02  -0.01   0.04    -0.02  -0.04  -0.11     0.00  -0.00  -0.01
     3   6    -0.02   0.03   0.12     0.03  -0.01  -0.01    -0.01  -0.01   0.00
     4   6    -0.06  -0.01  -0.07    -0.04  -0.03  -0.02    -0.01   0.01  -0.01
     5   6     0.00   0.00   0.01     0.05   0.07  -0.10     0.04  -0.01   0.02
     6   6    -0.04   0.05  -0.04    -0.01  -0.03   0.17    -0.01   0.00   0.01
     7   1     0.07  -0.33   0.21     0.06  -0.16   0.10    -0.00   0.00   0.01
     8   1     0.12  -0.39   0.20     0.02  -0.08   0.05     0.00  -0.02   0.01
     9   1    -0.03  -0.08  -0.14     0.06   0.08   0.29    -0.00  -0.02   0.01
    10   1    -0.04  -0.05  -0.11     0.11   0.18   0.47     0.01   0.02   0.04
    11   6     0.08  -0.05  -0.04    -0.02   0.02  -0.05     0.00   0.00  -0.00
    12   1     0.24  -0.30  -0.30    -0.06  -0.00   0.07     0.04   0.02  -0.01
    13   1     0.17   0.01   0.23     0.18  -0.03   0.17     0.03   0.01   0.01
    14   1     0.29   0.01   0.23     0.05   0.03   0.02     0.05  -0.00   0.06
    15   1     0.11  -0.07   0.07    -0.09  -0.36   0.52    -0.35   0.18  -0.11
    16   8    -0.00   0.01   0.00    -0.01  -0.00   0.01    -0.01  -0.02  -0.01
    17   6     0.02  -0.02   0.01    -0.00   0.01  -0.04     0.01   0.00  -0.00
    18   6    -0.03   0.01   0.02     0.02  -0.01   0.02    -0.01  -0.01   0.00
    19   6    -0.03   0.02   0.01     0.01  -0.01   0.02     0.00  -0.02  -0.00
    20   1     0.00  -0.00   0.08     0.01   0.00  -0.09    -0.00  -0.01   0.00
    21   1    -0.03   0.07   0.01    -0.02   0.01  -0.07    -0.01   0.01  -0.00
    22   1    -0.06   0.00  -0.02    -0.02   0.02  -0.06    -0.02  -0.00   0.00
    23   1     0.07   0.02  -0.02    -0.04   0.02  -0.06     0.05  -0.00  -0.01
    24   1     0.01  -0.04  -0.07     0.02  -0.01  -0.00     0.04   0.04  -0.02
    25   1     0.02  -0.08   0.03    -0.08   0.03  -0.01     0.05   0.02   0.02
    26   1     0.03  -0.07  -0.02    -0.02   0.03  -0.05    -0.05   0.07   0.01
    27   1     0.08   0.00   0.03    -0.06   0.05  -0.00    -0.01   0.08  -0.01
    28   1     0.03   0.02  -0.06     0.01  -0.03  -0.01     0.04   0.09   0.04
    29   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.04   0.01  -0.00
    30   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.11   0.09  -0.00
    31   8    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
    32   1    -0.01   0.00   0.00     0.01  -0.01  -0.00     0.40  -0.28  -0.20
    33   1    -0.01   0.01  -0.00     0.00  -0.01   0.01     0.19  -0.40   0.02
    34   1    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.42  -0.25   0.22
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1406.4222              1413.0039              1419.5499
 Red. masses --      1.2651                 1.2839                 1.2851
 Frc consts  --      1.4744                 1.5103                 1.5257
 IR Inten    --     10.2186                 6.0446                19.5896
 RamAct Fr= 1--      0.5430                 0.3258                 2.9255
  Dep-P Fr= 1--      0.5358                 0.2545                 0.7163
  Dep-U Fr= 1--      0.6978                 0.4057                 0.8347
 Alpha2 Fr= 1--      0.0022                 0.0038                 0.0017
 Beta2  Fr= 1--      0.0631                 0.0220                 0.4070
 AlphaG Fr= 1--      0.0052                 0.0013                 0.0211
 Gamma2 Fr= 1--     -0.1422                -0.0220                -1.2876
 Delta2 Fr= 1--     -0.1344                 0.0065                -0.8512
 Raman1 Fr= 1--       2.172                  1.303                 11.702
 ROA1   Fr= 1--     -17.953                 -1.901               -150.851
 CID1   Fr= 1--      -8.266                 -1.459                -12.891
 Raman2 Fr= 1--       0.758                  0.264                  4.884
 ROA2   Fr= 1--      -2.338                 -0.580                -24.094
 CID2   Fr= 1--      -3.086                 -2.193                 -4.933
 Raman3 Fr= 1--       1.515                  0.529                  9.768
 ROA3   Fr= 1--     -17.953                 -1.901               -150.851
 CID3   Fr= 1--     -11.847                 -3.596                -15.444
 RC180  Fr= 1--       0.396                 -0.189                  0.669
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.00   0.01
     2   6     0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00   0.00   0.01
     3   6    -0.01  -0.01   0.00    -0.00   0.00  -0.00     0.01  -0.00  -0.01
     4   6    -0.01   0.01  -0.00     0.00   0.00   0.00     0.03  -0.01   0.01
     5   6     0.03  -0.00   0.01     0.01  -0.00  -0.00    -0.09   0.01  -0.03
     6   6    -0.02  -0.01   0.01    -0.00  -0.00   0.04     0.02  -0.01  -0.02
     7   1     0.01   0.00  -0.01    -0.01   0.01  -0.01     0.01  -0.00  -0.03
     8   1    -0.02  -0.03  -0.01    -0.00   0.01  -0.01    -0.03   0.02  -0.03
     9   1    -0.02  -0.05   0.02    -0.00  -0.00  -0.01     0.00   0.02  -0.01
    10   1     0.03   0.00   0.04    -0.00   0.02   0.01    -0.02  -0.02  -0.06
    11   6     0.02   0.02  -0.00     0.00  -0.01  -0.01     0.01   0.01   0.00
    12   1     0.03   0.03  -0.00     0.00  -0.00  -0.01    -0.04  -0.00   0.03
    13   1     0.02   0.01   0.01    -0.00   0.00  -0.03    -0.06  -0.01   0.04
    14   1     0.03  -0.02   0.04     0.01   0.02   0.00    -0.12  -0.04  -0.10
    15   1    -0.21   0.10  -0.05    -0.11   0.04  -0.02     0.68  -0.31   0.18
    16   8     0.01  -0.01  -0.00     0.00  -0.01  -0.00    -0.02   0.03   0.02
    17   6     0.01   0.01  -0.01    -0.00   0.02  -0.14    -0.01   0.01  -0.00
    18   6    -0.09  -0.04   0.01    -0.01  -0.00   0.00    -0.07  -0.03   0.01
    19   6     0.01  -0.08  -0.03    -0.01   0.03   0.02    -0.00   0.01  -0.00
    20   1    -0.04  -0.04   0.03    -0.20   0.03   0.52    -0.02  -0.01   0.03
    21   1     0.03  -0.00   0.03     0.22  -0.00   0.48     0.04  -0.05   0.03
    22   1    -0.03  -0.01   0.02     0.03  -0.30   0.43     0.04  -0.01   0.02
    23   1     0.34  -0.01  -0.09     0.04  -0.00  -0.01     0.25  -0.01  -0.08
    24   1     0.27   0.23  -0.17     0.05   0.02  -0.05     0.20   0.16  -0.15
    25   1     0.35   0.14   0.11     0.06  -0.01   0.02     0.27   0.10   0.09
    26   1    -0.17   0.26   0.13     0.06  -0.10  -0.06     0.04  -0.04   0.05
    27   1    -0.03   0.36  -0.03     0.05  -0.17   0.02     0.02   0.02   0.00
    28   1     0.07   0.29   0.22     0.01  -0.11  -0.14    -0.06  -0.06   0.01
    29   6    -0.03   0.00   0.00    -0.01   0.00   0.00     0.06  -0.01  -0.00
    30   6     0.04  -0.03   0.00     0.00  -0.00   0.00    -0.05   0.03  -0.00
    31   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00   0.00
    32   1    -0.14   0.09   0.06    -0.01   0.00   0.00     0.14  -0.07  -0.06
    33   1    -0.06   0.13  -0.01    -0.00   0.01  -0.00     0.05  -0.12   0.01
    34   1    -0.14   0.08  -0.07    -0.01   0.00  -0.00     0.14  -0.06   0.06
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1430.7571              1471.5742              1478.0995
 Red. masses --      1.2070                 1.0519                 1.0460
 Frc consts  --      1.4557                 1.3421                 1.3464
 IR Inten    --      6.2919                12.2609                 9.0625
 RamAct Fr= 1--      1.8494                 4.9494                 4.1383
  Dep-P Fr= 1--      0.1619                 0.6029                 0.7500
  Dep-U Fr= 1--      0.2787                 0.7523                 0.8571
 Alpha2 Fr= 1--      0.0277                 0.0135                 0.0000
 Beta2  Fr= 1--      0.0859                 0.6206                 0.5912
 AlphaG Fr= 1--      0.0361                 0.0028                -0.0000
 Gamma2 Fr= 1--      0.1613                 0.0066                -0.0171
 Delta2 Fr= 1--     -0.1605                -0.0916                 0.1040
 Raman1 Fr= 1--       7.398                 19.798                 16.553
 ROA1   Fr= 1--      10.343                 -2.301                  1.688
 CID1   Fr= 1--       1.398                 -0.116                  0.102
 Raman2 Fr= 1--       1.031                  7.447                  7.094
 ROA2   Fr= 1--       5.154                  0.890                 -1.242
 CID2   Fr= 1--       4.999                  0.120                 -0.175
 Raman3 Fr= 1--       2.062                 14.894                 14.188
 ROA3   Fr= 1--      10.343                 -2.301                  1.688
 CID3   Fr= 1--       5.016                 -0.155                  0.119
 RC180  Fr= 1--      -0.443                  0.505                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.01   0.01   0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6     0.01   0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.03  -0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   1    -0.01   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.02  -0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1     0.02   0.03  -0.06     0.00   0.00  -0.00    -0.00  -0.01   0.00
    10   1    -0.05   0.02  -0.04    -0.00   0.00  -0.00     0.01  -0.01  -0.00
    11   6     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   1     0.02  -0.02  -0.03    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.06   0.01   0.06     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    14   1    -0.02  -0.07   0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    15   1     0.26  -0.12   0.06    -0.01   0.00   0.00     0.00   0.00  -0.00
    16   8    -0.01   0.01   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    17   6     0.00   0.01  -0.04     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   6     0.07   0.02  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   6     0.01  -0.09  -0.04     0.00   0.00   0.00     0.00  -0.00   0.00
    20   1    -0.06  -0.01   0.15    -0.00  -0.01  -0.00     0.01   0.01  -0.00
    21   1     0.06   0.02   0.18     0.00   0.00   0.01    -0.01   0.01   0.00
    22   1    -0.03  -0.10   0.14    -0.01   0.00  -0.00    -0.01  -0.01   0.01
    23   1    -0.27   0.01   0.07    -0.00  -0.00   0.00     0.00  -0.00   0.01
    24   1    -0.22  -0.18   0.15    -0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.28  -0.10  -0.09    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   1    -0.16   0.26   0.20    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    27   1    -0.05   0.45  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    28   1     0.01   0.27   0.30     0.00   0.00  -0.00     0.00   0.00   0.00
    29   6     0.02  -0.00  -0.00    -0.02   0.01  -0.00     0.00  -0.00  -0.02
    30   6    -0.01   0.01  -0.00    -0.04  -0.03   0.00    -0.00  -0.00  -0.05
    31   8    -0.00  -0.00   0.00     0.00  -0.02   0.00    -0.00  -0.00   0.00
    32   1     0.03  -0.01  -0.01     0.22   0.49   0.32     0.49   0.10   0.04
    33   1     0.01  -0.03  -0.00     0.20  -0.41   0.01     0.03   0.04   0.72
    34   1     0.03  -0.01   0.01     0.22   0.44  -0.41    -0.46  -0.07   0.06
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1484.9441              1488.7361              1496.5086
 Red. masses --      1.0625                 1.0552                 1.0502
 Frc consts  --      1.3804                 1.3780                 1.3858
 IR Inten    --      0.1744                 2.6765                 3.5817
 RamAct Fr= 1--      9.7563                 1.5572                 4.9944
  Dep-P Fr= 1--      0.7481                 0.7499                 0.7488
  Dep-U Fr= 1--      0.8559                 0.8571                 0.8564
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0001
 Beta2  Fr= 1--      1.3917                 0.2224                 0.7128
 AlphaG Fr= 1--      0.0031                -0.0001                 0.0013
 Gamma2 Fr= 1--      0.4983                -0.5615                 0.4510
 Delta2 Fr= 1--      0.3541                -0.1713                -0.0029
 Raman1 Fr= 1--      39.025                  6.229                 19.978
 ROA1   Fr= 1--      59.172                -59.386                 43.206
 CID1   Fr= 1--       1.516                 -9.534                  2.163
 Raman2 Fr= 1--      16.701                  2.669                  8.554
 ROA2   Fr= 1--       9.127                -12.106                 10.848
 CID2   Fr= 1--       0.546                 -4.536                  1.268
 Raman3 Fr= 1--      33.402                  5.338                 17.108
 ROA3   Fr= 1--      59.172                -59.386                 43.206
 CID3   Fr= 1--       1.772                -11.125                  2.525
 RC180  Fr= 1--       0.712                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03    -0.00  -0.01  -0.01     0.00   0.00  -0.00
     2   6     0.00  -0.01   0.00    -0.01   0.03  -0.01     0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.02   0.02  -0.03     0.01   0.00  -0.01    -0.00  -0.00  -0.00
     5   6     0.01   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.01   0.00    -0.00  -0.01  -0.00    -0.03   0.01   0.00
     7   1     0.11  -0.08  -0.22    -0.05   0.04   0.10    -0.00  -0.00   0.02
     8   1    -0.20  -0.13  -0.13     0.08   0.07   0.05     0.01   0.00   0.00
     9   1     0.04   0.08  -0.04    -0.12  -0.22   0.12    -0.01  -0.03  -0.03
    10   1    -0.07   0.07  -0.00     0.20  -0.17   0.03     0.01   0.00   0.02
    11   6    -0.01  -0.00   0.00    -0.00  -0.01  -0.01     0.00  -0.00   0.00
    12   1     0.01   0.02   0.00     0.00   0.01   0.01     0.01  -0.00  -0.01
    13   1    -0.18   0.04   0.25    -0.04   0.01   0.05     0.00  -0.00   0.01
    14   1    -0.06  -0.29   0.10    -0.02  -0.07   0.02     0.00  -0.00   0.00
    15   1    -0.07   0.03  -0.01     0.07  -0.02   0.01     0.00  -0.01   0.02
    16   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    17   6    -0.00  -0.01  -0.00    -0.00  -0.02  -0.01    -0.04   0.02   0.01
    18   6     0.01  -0.02   0.02     0.00  -0.02  -0.03     0.01   0.00  -0.00
    19   6    -0.03   0.00  -0.02    -0.02  -0.01   0.01    -0.01  -0.01   0.01
    20   1     0.06   0.10   0.01     0.13   0.19  -0.01    -0.11   0.06   0.35
    21   1    -0.05   0.05  -0.05    -0.13   0.17  -0.04     0.19  -0.50  -0.30
    22   1     0.05  -0.03   0.04     0.03  -0.09   0.13     0.60   0.10  -0.17
    23   1     0.00   0.09  -0.35     0.31  -0.09   0.20    -0.03  -0.00   0.02
    24   1    -0.13  -0.14   0.06    -0.04   0.35   0.37    -0.01  -0.01   0.00
    25   1    -0.02   0.36  -0.02    -0.29   0.08  -0.10    -0.01  -0.03  -0.01
    26   1     0.03   0.00   0.33    -0.12   0.17  -0.01    -0.10   0.13  -0.04
    27   1     0.37   0.07   0.08     0.20  -0.09   0.06     0.08  -0.05   0.02
    28   1    -0.01  -0.15  -0.17     0.20   0.09  -0.21     0.14   0.10  -0.10
    29   6    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    32   1     0.00   0.01   0.00    -0.01   0.00  -0.00     0.01   0.01   0.00
    33   1     0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00   0.01
    34   1    -0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1500.4883              1503.0821              1508.2507
 Red. masses --      1.0660                 1.0626                 1.0553
 Frc consts  --      1.4141                 1.4144                 1.4144
 IR Inten    --     10.6953                 7.6098                 1.1503
 RamAct Fr= 1--      1.3236                 0.7793                 2.8798
  Dep-P Fr= 1--      0.6739                 0.5035                 0.7432
  Dep-U Fr= 1--      0.8052                 0.6697                 0.8527
 Alpha2 Fr= 1--      0.0018                 0.0038                 0.0003
 Beta2  Fr= 1--      0.1776                 0.0870                 0.4093
 AlphaG Fr= 1--     -0.0103                 0.0165                -0.0026
 Gamma2 Fr= 1--     -0.6831                 1.1266                 0.2729
 Delta2 Fr= 1--      0.0500                 0.4325                 0.2431
 Raman1 Fr= 1--       5.294                  3.117                 11.519
 ROA1   Fr= 1--     -63.978                121.996                 33.973
 CID1   Fr= 1--     -12.084                 39.134                  2.949
 Raman2 Fr= 1--       2.132                  1.044                  4.911
 ROA2   Fr= 1--     -16.795                 23.580                  4.604
 CID2   Fr= 1--      -7.879                 22.588                  0.937
 Raman3 Fr= 1--       4.263                  2.088                  9.822
 ROA3   Fr= 1--     -63.978                121.996                 33.973
 CID3   Fr= 1--     -15.007                 58.433                  3.459
 RC180  Fr= 1--       0.610                  0.339                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01    -0.01  -0.02  -0.03     0.01   0.01   0.02
     2   6     0.00  -0.00   0.00    -0.01   0.03  -0.02     0.01  -0.01   0.01
     3   6    -0.00  -0.00   0.01    -0.00  -0.00  -0.01     0.00   0.00  -0.00
     4   6    -0.03  -0.03   0.04     0.01   0.01  -0.01     0.01   0.01  -0.02
     5   6    -0.01  -0.00   0.00     0.01   0.00   0.00     0.01   0.01  -0.00
     6   6    -0.01  -0.01  -0.01    -0.01  -0.00   0.00    -0.01  -0.03  -0.00
     7   1    -0.04   0.03   0.08    -0.13   0.11   0.26     0.08  -0.06  -0.17
     8   1     0.06   0.03   0.05     0.23   0.16   0.14    -0.14  -0.09  -0.10
     9   1     0.01   0.02  -0.02    -0.13  -0.25   0.13     0.05   0.10  -0.07
    10   1    -0.02   0.02  -0.01     0.24  -0.20   0.05    -0.09   0.10   0.00
    11   6     0.01  -0.00   0.00    -0.01   0.02  -0.01     0.00   0.01   0.01
    12   1     0.01  -0.02  -0.01    -0.01   0.02   0.01    -0.00   0.00  -0.00
    13   1     0.30  -0.06  -0.38    -0.11   0.02   0.15    -0.13   0.03   0.17
    14   1     0.10   0.44  -0.14    -0.04  -0.18   0.05    -0.04  -0.19   0.06
    15   1     0.04  -0.01  -0.01    -0.06   0.03  -0.01     0.02   0.00  -0.00
    16   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    17   6    -0.02  -0.03  -0.01    -0.01  -0.01  -0.00    -0.01  -0.03  -0.01
    18   6     0.00  -0.01   0.02    -0.00   0.02   0.01    -0.01   0.02  -0.00
    19   6    -0.00  -0.01  -0.01    -0.00   0.01  -0.03     0.02  -0.01   0.02
    20   1     0.20   0.34   0.07     0.08   0.15   0.05     0.26   0.41   0.04
    21   1    -0.17   0.16  -0.13    -0.06   0.03  -0.09    -0.23   0.23  -0.17
    22   1     0.20  -0.12   0.17     0.14  -0.04   0.05     0.20  -0.15   0.21
    23   1    -0.01   0.08  -0.28    -0.17   0.00   0.06    -0.11  -0.03   0.14
    24   1    -0.08  -0.14  -0.00     0.09  -0.10  -0.22     0.09  -0.03  -0.16
    25   1     0.03   0.24   0.00     0.14  -0.21   0.06     0.12  -0.23   0.05
    26   1     0.01   0.00   0.11     0.15  -0.16   0.31    -0.06   0.04  -0.28
    27   1     0.03   0.08   0.00     0.10   0.19   0.01    -0.23  -0.11  -0.05
    28   1    -0.04  -0.01   0.04    -0.21  -0.22   0.08     0.07   0.14   0.06
    29   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    33   1     0.00  -0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    34   1     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1513.4308              1523.1423              1528.4381
 Red. masses --      1.0710                 1.0621                 1.0850
 Frc consts  --      1.4454                 1.4518                 1.4934
 IR Inten    --      3.0945                 7.4278                 9.6850
 RamAct Fr= 1--      4.6452                 2.3093                 4.8500
  Dep-P Fr= 1--      0.6826                 0.7276                 0.5022
  Dep-U Fr= 1--      0.8113                 0.8423                 0.6686
 Alpha2 Fr= 1--      0.0055                 0.0009                 0.0237
 Beta2  Fr= 1--      0.6281                 0.3242                 0.5405
 AlphaG Fr= 1--     -0.0010                -0.0035                 0.0106
 Gamma2 Fr= 1--     -0.2958                -1.0489                 0.2829
 Delta2 Fr= 1--      0.0797                -0.6895                 0.1136
 Raman1 Fr= 1--      18.581                  9.237                 19.400
 ROA1   Fr= 1--     -25.851               -122.758                 30.798
 CID1   Fr= 1--      -1.391                -13.290                  1.588
 Raman2 Fr= 1--       7.538                  3.890                  6.485
 ROA2   Fr= 1--      -7.738                -19.657                  5.882
 CID2   Fr= 1--      -1.026                 -5.053                  0.907
 Raman3 Fr= 1--      15.076                  7.781                 12.971
 ROA3   Fr= 1--     -25.851               -122.758                 30.798
 CID3   Fr= 1--      -1.715                -15.778                  2.374
 RC180  Fr= 1--       0.623                  0.685                  0.337
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.02     0.00  -0.00   0.00    -0.01  -0.04  -0.04
     2   6     0.00  -0.03   0.01     0.01  -0.04   0.01     0.01  -0.04   0.01
     3   6     0.01   0.00  -0.01     0.00   0.00   0.01    -0.00   0.00  -0.01
     4   6    -0.00  -0.01   0.01    -0.01  -0.00   0.00     0.02   0.01  -0.01
     5   6    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.01   0.00  -0.00
     6   6     0.01  -0.01   0.01    -0.00  -0.01   0.01    -0.00  -0.00   0.01
     7   1    -0.08   0.06   0.14     0.02  -0.02  -0.03    -0.21   0.16   0.40
     8   1     0.13   0.09   0.08    -0.02  -0.02  -0.01     0.35   0.25   0.21
     9   1     0.10   0.18  -0.08     0.16   0.30  -0.15     0.14   0.25  -0.14
    10   1    -0.16   0.14  -0.02    -0.28   0.25  -0.02    -0.24   0.21  -0.03
    11   6    -0.04   0.02   0.01    -0.00   0.01  -0.03     0.01  -0.01   0.01
    12   1    -0.03   0.00   0.02    -0.01  -0.01   0.01    -0.01  -0.01  -0.02
    13   1     0.03  -0.01  -0.07     0.05  -0.01  -0.06    -0.15   0.03   0.18
    14   1     0.01   0.06  -0.03     0.03   0.07  -0.01    -0.06  -0.21   0.06
    15   1     0.03  -0.03   0.02    -0.07   0.02  -0.01    -0.02   0.01   0.00
    16   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6     0.01  -0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    18   6     0.00   0.02   0.00    -0.01  -0.00  -0.03    -0.01  -0.02   0.01
    19   6    -0.03  -0.02   0.01    -0.00   0.01  -0.02     0.01   0.01   0.01
    20   1     0.02  -0.04  -0.11     0.03   0.08   0.04     0.02   0.03   0.01
    21   1    -0.04   0.09   0.05    -0.02  -0.02  -0.07    -0.01   0.01  -0.02
    22   1    -0.14   0.01  -0.00     0.11  -0.01   0.01     0.02  -0.01   0.01
    23   1    -0.18  -0.01   0.10     0.20  -0.11   0.36     0.13   0.04  -0.21
    24   1     0.11  -0.09  -0.24     0.10   0.32   0.15    -0.07  -0.00   0.10
    25   1     0.18  -0.24   0.06    -0.14  -0.20  -0.04    -0.03   0.27  -0.02
    26   1    -0.18   0.29   0.14     0.15  -0.16   0.31     0.01  -0.04  -0.17
    27   1     0.43  -0.11   0.11     0.11   0.21   0.01    -0.17  -0.07  -0.04
    28   1     0.28   0.06  -0.37    -0.21  -0.22   0.07    -0.01   0.05   0.07
    29   6     0.00   0.00   0.00    -0.01   0.00   0.00    -0.01   0.00  -0.00
    30   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    33   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.01
    34   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1788.9246              3029.7172              3033.5596
 Red. masses --     11.1076                 1.0352                 1.0402
 Frc consts  --     20.9438                 5.5985                 5.6400
 IR Inten    --    241.8387                22.2010                11.2107
 RamAct Fr= 1--      9.9386                78.3662                 7.7314
  Dep-P Fr= 1--      0.1690                 0.0127                 0.7490
  Dep-U Fr= 1--      0.2892                 0.0251                 0.8565
 Alpha2 Fr= 1--      0.1463                 1.6904                 0.0001
 Beta2  Fr= 1--      0.4790                 0.3282                 1.1037
 AlphaG Fr= 1--     -0.0430                -0.1788                 0.0014
 Gamma2 Fr= 1--     -0.5258                -0.7047                 0.2106
 Delta2 Fr= 1--     -0.0236                -1.6963                 0.6755
 Raman1 Fr= 1--      39.755                313.465                 30.926
 ROA1   Fr= 1--     -51.233               -121.929                 41.832
 CID1   Fr= 1--      -1.289                 -0.389                  1.353
 Raman2 Fr= 1--       5.748                  3.939                 13.244
 ROA2   Fr= 1--     -12.430                 -3.342                 -0.350
 CID2   Fr= 1--      -2.163                 -0.848                 -0.026
 Raman3 Fr= 1--      11.496                  7.878                 26.488
 ROA3   Fr= 1--     -51.233               -121.929                 41.832
 CID3   Fr= 1--      -4.457                -15.478                  1.579
 RC180  Fr= 1--      -0.422                 -0.950                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.02   0.03  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     7   1     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
     8   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.00   0.01
     9   1    -0.01  -0.02   0.01    -0.02   0.01   0.00    -0.01   0.00   0.00
    10   1     0.01  -0.02   0.00     0.03   0.03  -0.02     0.01   0.01  -0.01
    11   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   1     0.01   0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.05   0.00   0.02     0.00   0.00  -0.00     0.00   0.01  -0.00
    14   1     0.01   0.03  -0.02    -0.00   0.00   0.00     0.01  -0.00  -0.01
    15   1     0.14   0.01   0.01    -0.00  -0.01  -0.01     0.00   0.01   0.01
    16   8     0.00  -0.05   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
    17   6    -0.00   0.00  -0.00    -0.00   0.00  -0.05    -0.00  -0.00   0.00
    18   6     0.00  -0.00   0.00    -0.01   0.00   0.00     0.04  -0.00  -0.01
    19   6     0.00  -0.00   0.00    -0.00   0.01   0.00    -0.02   0.03   0.01
    20   1    -0.01  -0.00   0.01     0.44  -0.29   0.13    -0.02   0.01  -0.00
    21   1     0.00  -0.01  -0.00    -0.44  -0.28   0.15     0.03   0.02  -0.01
    22   1     0.01  -0.00   0.01     0.01   0.53   0.30    -0.00   0.00   0.00
    23   1    -0.00  -0.00   0.00     0.00   0.03   0.01     0.00  -0.23  -0.07
    24   1     0.01   0.01  -0.00     0.04  -0.03   0.03    -0.34   0.25  -0.27
    25   1    -0.00  -0.00   0.00     0.02  -0.00  -0.07    -0.11   0.03   0.45
    26   1    -0.00   0.00  -0.00    -0.04  -0.02   0.01    -0.20  -0.11   0.03
    27   1    -0.00   0.00   0.00     0.03   0.00  -0.11     0.10   0.01  -0.44
    28   1     0.00  -0.00  -0.00     0.07  -0.04   0.05     0.34  -0.22   0.23
    29   6     0.00   0.76  -0.08    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   6     0.03  -0.07   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    31   8    -0.03  -0.48   0.05     0.00   0.00   0.00    -0.00   0.00  -0.00
    32   1     0.05  -0.17  -0.07     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   1    -0.12   0.25  -0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
    34   1     0.05  -0.15   0.09     0.00   0.00   0.00     0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3040.1271              3054.5447              3055.9499
 Red. masses --      1.0402                 1.0366                 1.0609
 Frc consts  --      5.6643                 5.6983                 5.8374
 IR Inten    --     51.8768                 2.5299                29.8673
 RamAct Fr= 1--    342.1883               180.9527                73.5487
  Dep-P Fr= 1--      0.0307                 0.0079                 0.3102
  Dep-U Fr= 1--      0.0595                 0.0158                 0.4735
 Alpha2 Fr= 1--      7.0762                 3.9472                 0.7314
 Beta2  Fr= 1--      3.3944                 0.4754                 5.8048
 AlphaG Fr= 1--     -0.0985                 0.0526                 0.0023
 Gamma2 Fr= 1--      0.2008                 0.0628                -3.5819
 Delta2 Fr= 1--      2.3704                -0.1285                -2.8946
 Raman1 Fr= 1--    1368.753                723.811                294.195
 ROA1   Fr= 1--      95.129                  1.917               -436.491
 CID1   Fr= 1--       0.070                  0.003                 -1.484
 Raman2 Fr= 1--      40.733                  5.704                 69.658
 ROA2   Fr= 1--     -14.144                  2.535                -62.810
 CID2   Fr= 1--      -0.347                  0.444                 -0.902
 Raman3 Fr= 1--      81.466                 11.409                139.315
 ROA3   Fr= 1--      95.129                  1.917               -436.491
 CID3   Fr= 1--       1.168                  0.168                 -3.133
 RC180  Fr= 1--      -0.881                 -0.968                 -0.053
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.03  -0.05
     2   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.02  -0.01
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
     4   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     7   1     0.03   0.01   0.01     0.00   0.00   0.00     0.58   0.26   0.14
     8   1    -0.02   0.00   0.02    -0.00   0.00   0.00    -0.46   0.14   0.48
     9   1    -0.02   0.01   0.00     0.00  -0.00  -0.00     0.11  -0.05  -0.01
    10   1     0.03   0.03  -0.02     0.00  -0.00  -0.00    -0.16  -0.15   0.09
    11   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1     0.03  -0.02   0.03    -0.00   0.00  -0.00    -0.12   0.10  -0.15
    13   1    -0.00  -0.02   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
    14   1    -0.01   0.01   0.01     0.00  -0.00  -0.00     0.03  -0.02  -0.04
    15   1    -0.00  -0.02  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    16   8     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   6    -0.00   0.00  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   6     0.04  -0.00  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    19   6     0.02  -0.03  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.09  -0.06   0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   1    -0.08  -0.05   0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1     0.00   0.09   0.05     0.00   0.00   0.00     0.00   0.02   0.01
    23   1     0.00  -0.22  -0.06    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    24   1    -0.32   0.24  -0.26    -0.00   0.00  -0.00     0.02  -0.01   0.01
    25   1    -0.10   0.03   0.41    -0.00   0.00   0.00     0.00   0.00  -0.01
    26   1     0.21   0.12  -0.03     0.00   0.00  -0.00     0.00   0.00  -0.00
    27   1    -0.10  -0.01   0.44    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    28   1    -0.35   0.23  -0.24    -0.00   0.00  -0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    30   6     0.00  -0.00   0.00    -0.02   0.04  -0.00     0.00  -0.00   0.00
    31   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    32   1     0.00   0.00  -0.00    -0.02  -0.32   0.54     0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.00     0.35   0.22  -0.03    -0.00  -0.00   0.00
    34   1     0.00   0.00   0.00    -0.05  -0.42  -0.51     0.00   0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3067.5574              3069.4327              3080.4378
 Red. masses --      1.0702                 1.0676                 1.1012
 Frc consts  --      5.9336                 5.9263                 6.1567
 IR Inten    --     34.6101                11.7044                 1.3800
 RamAct Fr= 1--    106.1628                55.1345                 4.3595
  Dep-P Fr= 1--      0.0678                 0.3431                 0.5253
  Dep-U Fr= 1--      0.1270                 0.5109                 0.6888
 Alpha2 Fr= 1--      2.0096                 0.4949                 0.0190
 Beta2  Fr= 1--      2.2472                 4.6950                 0.5005
 AlphaG Fr= 1--      0.0636                -0.0376                 0.0630
 Gamma2 Fr= 1--      4.3736                 8.1918                -7.2857
 Delta2 Fr= 1--      3.6627                 3.1444                -4.5832
 Raman1 Fr= 1--     424.651                220.538                 17.438
 ROA1   Fr= 1--     537.078                887.032               -846.086
 CID1   Fr= 1--       1.265                  4.022                -48.520
 Raman2 Fr= 1--      26.967                 56.341                  6.005
 ROA2   Fr= 1--      75.666                171.448               -138.191
 CID2   Fr= 1--       2.806                  3.043                -23.011
 Raman3 Fr= 1--      53.934                112.681                 12.011
 ROA3   Fr= 1--     537.078                887.032               -846.086
 CID3   Fr= 1--       9.958                  7.872                -70.444
 RC180  Fr= 1--      -0.746                  0.022                  0.378
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.02    -0.01  -0.00   0.01     0.00   0.00  -0.00
     2   6    -0.03  -0.06   0.03    -0.00  -0.01   0.00    -0.00  -0.00   0.00
     3   6     0.01  -0.00   0.01     0.02  -0.02   0.03    -0.00   0.00  -0.00
     4   6    -0.01  -0.00   0.01     0.04   0.02  -0.04     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   1     0.02   0.01   0.00     0.06   0.03   0.02    -0.03  -0.01  -0.01
     8   1    -0.19   0.06   0.21     0.09  -0.03  -0.09    -0.03   0.01   0.03
     9   1    -0.27   0.12   0.02    -0.06   0.03   0.00     0.01  -0.00  -0.00
    10   1     0.59   0.55  -0.35     0.06   0.05  -0.03     0.01   0.01  -0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   1    -0.07   0.05  -0.08    -0.25   0.21  -0.32     0.01  -0.01   0.02
    13   1     0.00   0.06  -0.00    -0.01  -0.48   0.03    -0.00  -0.03   0.00
    14   1     0.07  -0.05  -0.08    -0.43   0.29   0.49    -0.02   0.02   0.03
    15   1     0.00   0.02   0.02     0.00   0.01   0.01    -0.00  -0.00  -0.00
    16   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    17   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02  -0.00
    18   6    -0.00   0.01   0.00    -0.00   0.00  -0.00    -0.02   0.02  -0.06
    19   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.02   0.06
    20   1    -0.03   0.02  -0.01     0.01  -0.01   0.00    -0.04   0.02  -0.01
    21   1    -0.02  -0.01   0.00    -0.00   0.00  -0.00     0.12   0.07  -0.04
    22   1     0.00  -0.06  -0.04    -0.00  -0.02  -0.01     0.00   0.14   0.08
    23   1    -0.00  -0.04  -0.01    -0.00  -0.02  -0.01    -0.00  -0.01  -0.02
    24   1     0.03  -0.02   0.03     0.00  -0.00   0.00     0.33  -0.24   0.25
    25   1     0.01  -0.00  -0.04    -0.00   0.00   0.01    -0.13   0.04   0.48
    26   1    -0.01  -0.01   0.00     0.02   0.02  -0.00    -0.00  -0.01   0.02
    27   1    -0.00   0.00   0.00    -0.01   0.00   0.01     0.12  -0.00  -0.47
    28   1     0.01  -0.01   0.01     0.03  -0.02   0.02    -0.35   0.23  -0.23
    29   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    33   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    34   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3081.7172              3086.5526              3088.2269
 Red. masses --      1.0833                 1.1003                 1.1005
 Frc consts  --      6.0618                 6.1762                 6.1836
 IR Inten    --     37.5755                61.2116                30.9320
 RamAct Fr= 1--    253.9634                27.9814               103.3208
  Dep-P Fr= 1--      0.0592                 0.7342                 0.3620
  Dep-U Fr= 1--      0.1118                 0.8467                 0.5316
 Alpha2 Fr= 1--      4.9078                 0.0076                 0.8720
 Beta2  Fr= 1--      4.7301                 3.9488                 9.1546
 AlphaG Fr= 1--     -0.1285                 0.0016                -0.4694
 Gamma2 Fr= 1--      7.3461                15.6816               -20.6742
 Delta2 Fr= 1--      1.1513                 2.4513                -2.6498
 Raman1 Fr= 1--    1015.854                111.926                413.283
 ROA1   Fr= 1--     742.071               1583.872              -2069.516
 CID1   Fr= 1--       0.730                 14.151                 -5.008
 Raman2 Fr= 1--      56.761                 47.385                109.855
 ROA2   Fr= 1--     167.096                356.747               -474.982
 CID2   Fr= 1--       2.944                  7.529                 -4.324
 Raman3 Fr= 1--     113.522                 94.770                219.709
 ROA3   Fr= 1--     742.071               1583.872              -2069.516
 CID3   Fr= 1--       6.537                 16.713                 -9.419
 RC180  Fr= 1--      -0.776                  0.693                  0.063
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.02     0.01   0.00  -0.00    -0.08  -0.01   0.02
     2   6    -0.01  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.02   0.00
     3   6    -0.04   0.03  -0.05    -0.00   0.00  -0.01    -0.01   0.01  -0.02
     4   6     0.02   0.00  -0.03     0.00   0.00  -0.00     0.00  -0.01  -0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   1    -0.01  -0.00  -0.01    -0.09  -0.04  -0.03     0.63   0.29   0.18
     8   1    -0.21   0.07   0.23    -0.07   0.03   0.08     0.33  -0.12  -0.37
     9   1     0.05  -0.03  -0.00     0.04  -0.02  -0.00    -0.27   0.13   0.01
    10   1     0.06   0.06  -0.03    -0.01  -0.01   0.01     0.06   0.05  -0.03
    11   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.44  -0.36   0.54     0.06  -0.05   0.07     0.15  -0.12   0.18
    13   1    -0.01  -0.20   0.01    -0.00  -0.02   0.00     0.00   0.10  -0.01
    14   1    -0.27   0.18   0.30    -0.02   0.02   0.03    -0.01   0.01   0.02
    15   1     0.00   0.02   0.01     0.00   0.01   0.01     0.01   0.03   0.02
    16   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    17   6     0.01  -0.00   0.00    -0.03   0.04   0.00    -0.01   0.01   0.00
    18   6     0.00  -0.00   0.01    -0.01   0.01  -0.05    -0.00   0.01  -0.01
    19   6    -0.00   0.00   0.01    -0.02   0.01  -0.04     0.00   0.00  -0.00
    20   1    -0.05   0.03  -0.02     0.37  -0.24   0.12     0.06  -0.04   0.02
    21   1    -0.03  -0.02   0.01     0.06   0.05  -0.02     0.00   0.00  -0.00
    22   1     0.00  -0.00  -0.00    -0.01  -0.27  -0.15    -0.00  -0.07  -0.04
    23   1     0.00   0.01   0.01    -0.00   0.01  -0.01    -0.00  -0.07  -0.02
    24   1    -0.04   0.03  -0.03     0.28  -0.20   0.21     0.07  -0.05   0.05
    25   1     0.03  -0.01  -0.12    -0.12   0.03   0.42    -0.01   0.01   0.03
    26   1    -0.01  -0.00   0.00     0.01   0.01  -0.01    -0.03  -0.02   0.00
    27   1     0.02  -0.00  -0.07    -0.09   0.00   0.36    -0.00   0.00   0.01
    28   1    -0.00   0.00  -0.00     0.28  -0.18   0.18     0.01  -0.01   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3089.2548              3092.8392              3099.9202
 Red. masses --      1.1004                 1.1006                 1.0889
 Frc consts  --      6.1874                 6.2028                 6.1650
 IR Inten    --     20.0936                27.1032                 9.1174
 RamAct Fr= 1--    133.1818                69.5419                53.7792
  Dep-P Fr= 1--      0.6934                 0.6307                 0.3213
  Dep-U Fr= 1--      0.8190                 0.7735                 0.4864
 Alpha2 Fr= 1--      0.1318                 0.1508                 0.5169
 Beta2  Fr= 1--     18.1788                 8.9654                 4.3596
 AlphaG Fr= 1--     -0.0676                 0.1186                 0.6138
 Gamma2 Fr= 1--    -21.2844                17.3908               -16.0378
 Delta2 Fr= 1--     -8.6359                 8.6533               -10.5949
 Raman1 Fr= 1--     532.727                278.168                215.117
 ROA1   Fr= 1--   -2319.651               1946.423              -1878.668
 CID1   Fr= 1--      -4.354                  6.997                 -8.733
 Raman2 Fr= 1--     218.146                107.584                 52.315
 ROA2   Fr= 1--    -441.738                348.152               -300.148
 CID2   Fr= 1--      -2.025                  3.236                 -5.737
 Raman3 Fr= 1--     436.292                215.169                104.630
 ROA3   Fr= 1--   -2319.651               1946.423              -1878.668
 CID3   Fr= 1--      -5.317                  9.046                -17.955
 RC180  Fr= 1--       0.638                  0.547                 -0.027
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.03   0.01
     5   6     0.00   0.01   0.01     0.00   0.01   0.01    -0.02  -0.06  -0.05
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   1     0.03   0.02   0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   1     0.01  -0.01  -0.02    -0.01   0.00   0.01     0.01  -0.00  -0.01
     9   1    -0.02   0.01   0.00    -0.06   0.03   0.00    -0.00   0.00  -0.00
    10   1     0.02   0.02  -0.01     0.03   0.03  -0.02    -0.01  -0.01   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   1     0.03  -0.02   0.03     0.01  -0.01   0.01     0.01  -0.01   0.02
    13   1     0.00   0.02  -0.00     0.00   0.03  -0.00    -0.01  -0.30   0.02
    14   1    -0.01   0.01   0.01    -0.02   0.01   0.02     0.12  -0.07  -0.13
    15   1    -0.02  -0.09  -0.07    -0.02  -0.10  -0.08     0.16   0.71   0.53
    16   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   6     0.03  -0.07  -0.01    -0.08  -0.04  -0.00    -0.01  -0.01  -0.00
    18   6    -0.01   0.01  -0.02     0.00  -0.01   0.02     0.00   0.00   0.00
    19   6    -0.02   0.01  -0.04    -0.00  -0.00  -0.00     0.01   0.00  -0.01
    20   1    -0.46   0.29  -0.15     0.30  -0.22   0.10    -0.01   0.00  -0.00
    21   1     0.06   0.02  -0.02     0.65   0.41  -0.23     0.09   0.05  -0.03
    22   1     0.02   0.50   0.29    -0.01   0.30   0.18     0.00   0.12   0.07
    23   1    -0.00  -0.02  -0.01     0.00   0.01   0.01     0.00  -0.00  -0.00
    24   1     0.14  -0.10   0.11    -0.09   0.07  -0.07    -0.00   0.00  -0.00
    25   1    -0.06   0.02   0.20     0.05  -0.01  -0.18     0.00  -0.00  -0.00
    26   1     0.04   0.03  -0.02     0.01   0.01  -0.00    -0.11  -0.07   0.02
    27   1    -0.09   0.00   0.34    -0.00  -0.00   0.01    -0.02   0.00   0.09
    28   1     0.25  -0.16   0.16     0.01  -0.00   0.00    -0.00   0.01  -0.01
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    32   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
    34   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3112.1729              3113.4638              3118.5311
 Red. masses --      1.0997                 1.1009                 1.0989
 Frc consts  --      6.2755                 6.2879                 6.2965
 IR Inten    --      5.1083                16.7982                47.2973
 RamAct Fr= 1--     45.9126                62.5099                56.1558
  Dep-P Fr= 1--      0.7480                 0.2996                 0.5250
  Dep-U Fr= 1--      0.8559                 0.4611                 0.6886
 Alpha2 Fr= 1--      0.0015                 0.6418                 0.2454
 Beta2  Fr= 1--      6.5492                 4.8041                 6.4444
 AlphaG Fr= 1--      0.0086                 1.0247                 0.0107
 Gamma2 Fr= 1--      3.8631                 8.1230                 8.2686
 Delta2 Fr= 1--      2.9686                 2.9852                 4.1231
 Raman1 Fr= 1--     183.651                250.040                224.623
 ROA1   Fr= 1--     465.852                875.331                925.725
 CID1   Fr= 1--       2.537                  3.501                  4.121
 Raman2 Fr= 1--      78.590                 57.649                 77.333
 ROA2   Fr= 1--      68.966                171.070                165.462
 CID2   Fr= 1--       0.878                  2.967                  2.140
 Raman3 Fr= 1--     157.180                115.297                154.665
 ROA3   Fr= 1--     465.852                875.331                925.725
 CID3   Fr= 1--       2.964                  7.592                  5.985
 RC180  Fr= 1--       0.712                 -0.078                  0.377
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00   0.01
     2   6     0.00  -0.00  -0.00    -0.02   0.01   0.00    -0.08   0.01   0.01
     3   6    -0.00   0.00  -0.00     0.01  -0.00   0.01    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.02  -0.07  -0.02    -0.01   0.02   0.01
     5   6     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.00   0.01   0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00     0.15   0.07   0.05
     8   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.14  -0.05  -0.15
     9   1    -0.01   0.00   0.00     0.22  -0.11  -0.01     0.76  -0.38  -0.03
    10   1    -0.00  -0.00   0.00     0.04   0.04  -0.03     0.20   0.21  -0.13
    11   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   1     0.00  -0.00   0.00    -0.06   0.05  -0.07     0.01  -0.01   0.02
    13   1    -0.00  -0.03   0.00     0.03   0.72  -0.06    -0.01  -0.17   0.01
    14   1     0.01  -0.00  -0.01    -0.27   0.16   0.31     0.08  -0.05  -0.09
    15   1    -0.00  -0.01  -0.01     0.05   0.22   0.16    -0.01  -0.06  -0.04
    16   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   6     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.00   0.01   0.01
    19   6    -0.00  -0.00   0.00     0.03   0.01  -0.01    -0.01  -0.00   0.00
    20   1     0.00  -0.00   0.00    -0.01   0.00  -0.00     0.02  -0.02   0.01
    21   1     0.00   0.00  -0.00     0.01   0.01  -0.00     0.03   0.02  -0.01
    22   1    -0.00  -0.00  -0.00     0.00   0.03   0.02    -0.00   0.01   0.00
    23   1     0.00   0.00   0.00    -0.00  -0.06  -0.02    -0.00  -0.16  -0.05
    24   1    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.03  -0.02   0.02
    25   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.01   0.00  -0.05
    26   1     0.01   0.01  -0.00    -0.28  -0.17   0.04     0.06   0.04  -0.01
    27   1     0.00  -0.00  -0.00    -0.02   0.00   0.10     0.00  -0.00  -0.02
    28   1     0.00  -0.00   0.00    -0.05   0.04  -0.04     0.02  -0.01   0.01
    29   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    30   6    -0.00  -0.01  -0.09     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    32   1    -0.02  -0.39   0.60    -0.00  -0.01   0.02     0.00  -0.00   0.00
    33   1     0.03   0.02  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    34   1     0.05   0.46   0.52     0.00   0.02   0.02     0.00   0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3129.5554              3131.1019              3159.5195
 Red. masses --      1.0947                 1.0953                 1.1027
 Frc consts  --      6.3170                 6.3269                 6.4854
 IR Inten    --     26.4264                23.3661                 8.1023
 RamAct Fr= 1--     54.2115                52.1886                69.2650
  Dep-P Fr= 1--      0.3355                 0.5736                 0.5934
  Dep-U Fr= 1--      0.5024                 0.7291                 0.7448
 Alpha2 Fr= 1--      0.4985                 0.1733                 0.2017
 Beta2  Fr= 1--      4.5397                 6.3414                 8.5985
 AlphaG Fr= 1--      0.4411                 0.0391                -0.0470
 Gamma2 Fr= 1--     -1.9128                 2.2022                -1.2174
 Delta2 Fr= 1--      0.7948                -0.8543                -0.5936
 Raman1 Fr= 1--     216.846                208.754                277.060
 ROA1   Fr= 1--    -158.194                184.075               -135.870
 CID1   Fr= 1--      -0.730                  0.882                 -0.490
 Raman2 Fr= 1--      54.476                 76.097                103.182
 ROA2   Fr= 1--     -52.265                 59.688                -24.470
 CID2   Fr= 1--      -0.959                  0.784                 -0.237
 Raman3 Fr= 1--     108.953                152.193                206.364
 ROA3   Fr= 1--    -158.194                184.075               -135.870
 CID3   Fr= 1--      -1.452                  1.209                 -0.658
 RC180  Fr= 1--       0.005                  0.458                  0.490
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.02  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.03  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.02  -0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   1     0.00   0.00   0.00     0.10   0.04   0.03    -0.00  -0.00  -0.00
     8   1     0.00   0.00  -0.00     0.03  -0.01  -0.04    -0.00   0.00   0.00
     9   1     0.01  -0.01  -0.00     0.11  -0.06  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.01  -0.00     0.08   0.08  -0.05    -0.00  -0.00   0.00
    11   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   1    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.01   0.27  -0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   1    -0.07   0.04   0.08    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.05   0.21   0.16    -0.00  -0.00  -0.00     0.00   0.01   0.00
    16   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   6     0.00  -0.00  -0.00     0.01  -0.08  -0.03     0.00  -0.00  -0.00
    19   6    -0.07  -0.03   0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   1    -0.00   0.00   0.00     0.00   0.01   0.01     0.00   0.00   0.00
    23   1     0.00   0.04   0.01     0.02   0.89   0.25     0.00   0.00   0.00
    24   1    -0.01   0.00  -0.00    -0.14   0.09  -0.12    -0.00   0.00  -0.00
    25   1    -0.00   0.00   0.00    -0.05  -0.00   0.22    -0.00   0.00   0.00
    26   1     0.74   0.44  -0.11    -0.04  -0.02   0.01     0.00   0.00  -0.00
    27   1     0.04  -0.00  -0.22    -0.00   0.00   0.01    -0.00  -0.00   0.00
    28   1     0.12  -0.10   0.10    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    29   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.07  -0.06   0.01
    31   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    32   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.15  -0.26
    33   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.78   0.46  -0.06
    34   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.16   0.21

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  8 and mass  15.99491
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  6 and mass  12.00000
 Atom    31 has atomic number  8 and mass  15.99491
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Molecular mass:   196.14633 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1396.385173819.652813882.59467
           X            0.99982  -0.01825  -0.00573
           Y            0.01847   0.99900   0.04084
           Z            0.00498  -0.04094   0.99915
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06203     0.02268     0.02231
 Rotational constants (GHZ):           1.29244     0.47249     0.46483
 Zero-point vibrational energy     793809.7 (Joules/Mol)
                                  189.72508 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     58.26    72.15   105.19   139.51   213.80
          (Kelvin)            281.91   315.99   321.43   338.48   343.69
                              349.87   387.40   478.08   503.26   524.92
                              581.48   622.29   684.77   741.47   758.85
                              839.84   854.83   893.19   925.82   954.29
                             1080.17  1151.59  1202.02  1222.65  1290.89
                             1327.73  1340.68  1370.33  1380.40  1386.64
                             1401.47  1436.72  1450.32  1473.14  1509.37
                             1522.05  1537.22  1541.24  1593.55  1638.71
                             1673.99  1687.81  1714.21  1763.08  1777.54
                             1805.62  1815.66  1828.34  1847.44  1882.05
                             1889.57  1923.20  1930.97  1961.31  2010.17
                             2023.53  2033.00  2042.42  2058.54  2117.27
                             2126.66  2136.50  2141.96  2153.14  2158.87
                             2162.60  2170.04  2177.49  2191.46  2199.08
                             2573.86  4359.09  4364.62  4374.06  4394.81
                             4396.83  4413.53  4416.23  4432.06  4433.90
                             4440.86  4443.27  4444.75  4449.91  4460.09
                             4477.72  4479.58  4486.87  4502.73  4504.96
                             4545.84
 
 Zero-point correction=                           0.302346 (Hartree/Particle)
 Thermal correction to Energy=                    0.316883
 Thermal correction to Enthalpy=                  0.317827
 Thermal correction to Gibbs Free Energy=         0.261350
 Sum of electronic and zero-point Energies=           -619.787303
 Sum of electronic and thermal Energies=              -619.772766
 Sum of electronic and thermal Enthalpies=            -619.771822
 Sum of electronic and thermal Free Energies=         -619.828299
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  198.847             56.782            118.866
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.726
 Rotational               0.889              2.981             31.405
 Vibrational            197.069             50.820             45.735
 Vibration     1          0.594              1.981              5.235
 Vibration     2          0.595              1.978              4.812
 Vibration     3          0.599              1.967              4.068
 Vibration     4          0.603              1.951              3.514
 Vibration     5          0.618              1.904              2.690
 Vibration     6          0.636              1.846              2.171
 Vibration     7          0.647              1.811              1.962
 Vibration     8          0.649              1.805              1.931
 Vibration     9          0.655              1.787              1.838
 Vibration    10          0.657              1.781              1.811
 Vibration    11          0.659              1.774              1.780
 Vibration    12          0.674              1.730              1.601
 Vibration    13          0.714              1.611              1.249
 Vibration    14          0.727              1.576              1.167
 Vibration    15          0.738              1.545              1.101
 Vibration    16          0.769              1.461              0.948
 Vibration    17          0.793              1.399              0.850
 Vibration    18          0.833              1.303              0.721
 Vibration    19          0.870              1.216              0.621
 Vibration    20          0.882              1.189              0.593
 Vibration    21          0.941              1.067              0.479
 Vibration    22          0.952              1.044              0.460
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.612970-120       -120.212561       -276.799651
 Total V=0       0.719272D+19         18.856893         43.419601
 Vib (Bot)       0.348493-134       -134.457806       -309.600540
 Vib (Bot)    1  0.510908D+01          0.708343          1.631019
 Vib (Bot)    2  0.412232D+01          0.615142          1.416416
 Vib (Bot)    3  0.281962D+01          0.450191          1.036603
 Vib (Bot)    4  0.211768D+01          0.325861          0.750322
 Vib (Bot)    5  0.136507D+01          0.135156          0.311208
 Vib (Bot)    6  0.101921D+01          0.008263          0.019025
 Vib (Bot)    7  0.900794D+00         -0.045375         -0.104479
 Vib (Bot)    8  0.884127D+00         -0.053485         -0.123155
 Vib (Bot)    9  0.835262D+00         -0.078177         -0.180010
 Vib (Bot)   10  0.821260D+00         -0.085519         -0.196915
 Vib (Bot)   11  0.805185D+00         -0.094104         -0.216683
 Vib (Bot)   12  0.718022D+00         -0.143862         -0.331255
 Vib (Bot)   13  0.561525D+00         -0.250631         -0.577099
 Vib (Bot)   14  0.527548D+00         -0.277738         -0.639515
 Vib (Bot)   15  0.500758D+00         -0.300372         -0.691632
 Vib (Bot)   16  0.439674D+00         -0.356869         -0.821722
 Vib (Bot)   17  0.402063D+00         -0.395706         -0.911146
 Vib (Bot)   18  0.352624D+00         -0.452688         -1.042352
 Vib (Bot)   19  0.314547D+00         -0.502314         -1.156621
 Vib (Bot)   20  0.303949D+00         -0.517200         -1.190897
 Vib (Bot)   21  0.260084D+00         -0.584887         -1.346752
 Vib (Bot)   22  0.252838D+00         -0.597157         -1.375005
 Vib (V=0)       0.408929D+05          4.611648         10.618711
 Vib (V=0)    1  0.563349D+01          0.750777          1.728729
 Vib (V=0)    2  0.465253D+01          0.667689          1.537411
 Vib (V=0)    3  0.336361D+01          0.526806          1.213016
 Vib (V=0)    4  0.267591D+01          0.427471          0.984289
 Vib (V=0)    5  0.195376D+01          0.290872          0.669757
 Vib (V=0)    6  0.163525D+01          0.213583          0.491793
 Vib (V=0)    7  0.153026D+01          0.184764          0.425436
 Vib (V=0)    8  0.151572D+01          0.180618          0.415888
 Vib (V=0)    9  0.147348D+01          0.168344          0.387627
 Vib (V=0)   10  0.146149D+01          0.164797          0.379458
 Vib (V=0)   11  0.144780D+01          0.160708          0.370044
 Vib (V=0)   12  0.137496D+01          0.138290          0.318425
 Vib (V=0)   13  0.125187D+01          0.097560          0.224639
 Vib (V=0)   14  0.122685D+01          0.088791          0.204448
 Vib (V=0)   15  0.120764D+01          0.081939          0.188670
 Vib (V=0)   16  0.116582D+01          0.066631          0.153423
 Vib (V=0)   17  0.114160D+01          0.057515          0.132434
 Vib (V=0)   18  0.111184D+01          0.046041          0.106013
 Vib (V=0)   19  0.109071D+01          0.037710          0.086830
 Vib (V=0)   20  0.108514D+01          0.035484          0.081706
 Vib (V=0)   21  0.106360D+01          0.026778          0.061658
 Vib (V=0)   22  0.106029D+01          0.025426          0.058544
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.107975D+09          8.033324         18.497412
 Rotational      0.162900D+07          6.211921         14.303477
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000003658   -0.000030212    0.000030968
      2        6           0.000045933    0.000052805   -0.000016391
      3        6           0.000039962   -0.000010728   -0.000036515
      4        6          -0.000024666    0.000004330    0.000019804
      5        6          -0.000002967    0.000008917   -0.000008026
      6        6          -0.000024684   -0.000003066    0.000018762
      7        1          -0.000009513   -0.000000794    0.000007121
      8        1          -0.000002990    0.000005735   -0.000000916
      9        1          -0.000003299   -0.000001636   -0.000000715
     10        1           0.000017438   -0.000005908    0.000009608
     11        6          -0.000003130    0.000007243   -0.000000823
     12        1           0.000001796    0.000000935    0.000000154
     13        1          -0.000010275   -0.000000686    0.000003118
     14        1           0.000008383    0.000012014   -0.000004338
     15        1           0.000010641   -0.000008644    0.000006920
     16        8           0.000003050    0.000005576    0.000000306
     17        6          -0.000000850   -0.000004895    0.000004071
     18        6          -0.000002085   -0.000000929   -0.000003366
     19        6          -0.000012641    0.000004187    0.000003525
     20        1          -0.000002560   -0.000003375   -0.000003891
     21        1          -0.000005237    0.000004698   -0.000005056
     22        1           0.000002549    0.000002740    0.000018171
     23        1          -0.000030007   -0.000006092   -0.000015144
     24        1          -0.000004024   -0.000000771    0.000001911
     25        1           0.000000631   -0.000003244    0.000012150
     26        1          -0.000009647   -0.000000111   -0.000014774
     27        1           0.000015622   -0.000017526   -0.000017407
     28        1           0.000000706   -0.000000670   -0.000000158
     29        6           0.000000814   -0.000000621    0.000002331
     30        6          -0.000000489   -0.000001502   -0.000001684
     31        8           0.000000398   -0.000001563   -0.000003978
     32        1          -0.000000299   -0.000000843   -0.000001680
     33        1          -0.000000161   -0.000002112   -0.000002781
     34        1          -0.000002058   -0.000003252   -0.000001275
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000052805 RMS     0.000012848
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.167594D+03 -0.211197D+01 -0.774082D+00
      2  -0.211197D+01  0.140485D+03 -0.456713D+00
      3  -0.774082D+00 -0.456713D+00  0.134301D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.273591D+00  0.123141D+01  0.807495D+01
      2  -0.897198D+00 -0.458085D+01 -0.494501D+02
      3  -0.405852D+01  0.223530D+02  0.372475D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.378341D+01  0.400837D+01 -0.625667D+00
      2   0.720108D+01  0.488326D+01 -0.118457D+02
      3  -0.341767D+01 -0.889163D+01  0.124714D+02
      4  -0.106324D+02 -0.507559D+02 -0.137277D+02
      5   0.808840D+01 -0.128093D+02 -0.103574D+03
      6  -0.574345D+01  0.192322D+01 -0.331744D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   102 ND12= 1 LenFil=    3675:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.274493D+01  0.290315D+01  0.332124D+01  0.230470D+01  0.725795D+00
      2   0.290315D+01  0.867404D+00  0.252853D+00  0.725795D+00 -0.277408D+01
      3   0.332124D+01  0.252853D+00 -0.338998D+01  0.613550D+00  0.899273D-01
                 6             7             8             9            10 
      1   0.613550D+00  0.187330D+01  0.457344D+00 -0.289474D+01 -0.246308D+01
      2   0.899273D-01  0.457344D+00  0.600539D-01  0.261362D+01  0.394906D+01
      3   0.236980D+01 -0.289474D+01  0.261362D+01  0.667374D+00 -0.129318D+01
                11            12            13            14            15 
      1   0.394906D+01 -0.129318D+01  0.339812D+01  0.892050D-01 -0.135388D+01
      2   0.169088D-01 -0.137544D+01  0.892050D-01  0.588312D+00 -0.288359D+01
      3  -0.137544D+01  0.182187D+01 -0.135388D+01 -0.288359D+01 -0.245132D+01
                16            17            18            19            20 
      1  -0.723005D+00 -0.161335D+01  0.129708D+01 -0.834365D+00 -0.335124D+01
      2  -0.161335D+01 -0.259200D+01 -0.135176D+01 -0.335124D+01  0.513954D+00
      3   0.129708D+01 -0.135176D+01  0.166120D+01  0.387695D+00 -0.121028D+01
                21            22            23            24            25 
      1   0.387695D+00 -0.373180D+01  0.499077D+00 -0.150167D+01 -0.320741D+00
      2  -0.121028D+01  0.499077D+00  0.320076D+01  0.201599D+01 -0.122173D+01
      3   0.453740D+01 -0.150167D+01  0.201599D+01 -0.238858D+01  0.551703D+01
                26            27            28            29            30 
      1  -0.122173D+01  0.551703D+01  0.622640D+00  0.174746D+01  0.141139D+01
      2   0.834728D+00 -0.330151D+01  0.174746D+01 -0.286850D+00  0.612961D-01
      3  -0.330151D+01 -0.916369D+00  0.141139D+01  0.612961D-01 -0.332016D+01
                31            32            33            34            35 
      1   0.247559D+01 -0.873513D+00 -0.187262D+00 -0.361706D-02  0.333894D+00
      2  -0.873513D+00 -0.481153D+01  0.118040D+01  0.333894D+00  0.453323D+00
      3  -0.187262D+00  0.118040D+01  0.221496D+01 -0.351519D+01  0.171315D+01
                36            37            38            39            40 
      1  -0.351519D+01 -0.545495D+01  0.124226D+01 -0.121669D+01  0.190333D+01
      2   0.171315D+01  0.124226D+01  0.605485D+00 -0.977139D+00 -0.202316D+00
      3  -0.173183D+00 -0.121669D+01 -0.977139D+00  0.287897D+01 -0.993806D+00
                41            42            43            44            45 
      1  -0.202316D+00 -0.993806D+00  0.546760D+00 -0.691543D+00  0.123332D+01
      2  -0.906153D+00 -0.229254D+01 -0.691543D+00 -0.155037D+01 -0.158260D+01
      3  -0.229254D+01 -0.261550D+01  0.123332D+01 -0.158260D+01  0.123399D+01
                46            47            48            49            50 
      1   0.221125D+01 -0.425654D+01  0.290174D+01 -0.576913D+01  0.956525D+00
      2  -0.425654D+01  0.116668D+01  0.525194D+00  0.956525D+00  0.280935D+00
      3   0.290174D+01  0.525194D+00  0.516199D+00  0.487521D+00  0.349029D+01
                51            52            53            54            55 
      1   0.487521D+00  0.330358D+01 -0.683769D-01 -0.270631D-01 -0.558772D+01
      2   0.349029D+01 -0.683769D-01  0.409404D+01  0.156928D+01 -0.262028D+01
      3   0.128905D+01 -0.270631D-01  0.156928D+01 -0.305124D+01 -0.265590D+01
                56            57            58            59            60 
      1  -0.262028D+01 -0.265590D+01 -0.216021D+01 -0.189341D+01 -0.108792D+01
      2  -0.260182D+01 -0.156398D+01 -0.189341D+01 -0.205337D+01 -0.123353D+01
      3  -0.156398D+01 -0.243327D+01 -0.108792D+01 -0.123353D+01 -0.149237D+01
                61            62            63            64            65 
      1  -0.164150D+01 -0.920968D+00 -0.142013D+01  0.191671D+01 -0.117709D+01
      2  -0.920968D+00 -0.909636D+00 -0.127798D+01 -0.117709D+01  0.144354D+01
      3  -0.142013D+01 -0.127798D+01 -0.198816D+01 -0.235691D+01  0.132152D+01
                66            67            68            69            70 
      1  -0.235691D+01 -0.686629D+00  0.620338D+00  0.365514D+00 -0.181630D+01
      2   0.132152D+01  0.620338D+00 -0.107642D+01 -0.139375D+01  0.591922D+00
      3   0.380367D+01  0.365514D+00 -0.139375D+01 -0.160086D+01  0.206821D+01
                71            72            73            74            75 
      1   0.591922D+00  0.206821D+01  0.535517D+01 -0.276290D+01  0.285701D+00
      2  -0.175517D+01 -0.227940D+01 -0.276290D+01  0.349404D+01  0.266002D+00
      3  -0.227940D+01 -0.623785D+01  0.285701D+00  0.266002D+00  0.961301D+00
                76            77            78            79            80 
      1  -0.210669D+01  0.205200D+01  0.216571D+00  0.135726D+00  0.217304D+00
      2   0.205200D+01 -0.323090D+01  0.220135D+00  0.217304D+00  0.219715D+00
      3   0.216571D+00  0.220135D+00 -0.435383D+00  0.590051D+00 -0.571045D+00
                81            82            83            84            85 
      1   0.590051D+00 -0.245816D+01 -0.224731D+01  0.837741D+00 -0.210385D+01
      2  -0.571045D+00 -0.224731D+01 -0.309795D+01  0.919007D+00 -0.205872D+01
      3  -0.143523D+00  0.837741D+00  0.919007D+00 -0.145235D+01  0.622928D+00
                86            87            88            89            90 
      1  -0.205872D+01  0.622928D+00  0.100631D+01  0.101860D+01 -0.988672D+00
      2  -0.507508D+01  0.158720D+01  0.101860D+01  0.231569D+01 -0.124149D+01
      3   0.158720D+01 -0.115568D+01 -0.988672D+00 -0.124149D+01  0.129127D+01
                91            92            93            94            95 
      1  -0.156272D+01  0.524336D+01 -0.202349D+01  0.628434D+01 -0.660382D+00
      2   0.524336D+01 -0.147528D+01  0.853567D+00 -0.660382D+00 -0.312566D+01
      3  -0.202349D+01  0.853567D+00 -0.435534D+01  0.100333D+01 -0.320600D+01
                96            97            98            99           100 
      1   0.100333D+01 -0.149568D+01  0.652033D+00 -0.390030D+01 -0.328037D+01
      2  -0.320600D+01  0.652033D+00 -0.268032D+01  0.103091D+01  0.175886D+01
      3   0.144101D+01 -0.390030D+01  0.103091D+01  0.429226D+01 -0.267497D+01
               101           102           103           104           105 
      1   0.175886D+01 -0.267497D+01  0.197402D+01 -0.138143D+01  0.127839D+01
      2  -0.142299D+01  0.125877D+01 -0.138143D+01  0.193362D+01 -0.221706D+01
      3   0.125877D+01 -0.336145D+01  0.127839D+01 -0.221706D+01  0.255309D+01
               106           107           108           109           110 
      1  -0.215860D+01  0.870955D+00 -0.292180D+01  0.339222D+00  0.872083D+00
      2   0.870955D+00 -0.180135D+01  0.213836D+01  0.872083D+00  0.435701D+00
      3  -0.292180D+01  0.213836D+01 -0.556344D+01 -0.267109D+00 -0.130213D+00
               111           112           113           114           115 
      1  -0.267109D+00  0.162199D+01  0.843335D+00 -0.244693D+00 -0.255527D-01
      2  -0.130213D+00  0.843335D+00  0.767014D+01 -0.203783D+01 -0.128610D+00
      3   0.322771D+00 -0.244693D+00 -0.203783D+01  0.181477D+01  0.408158D+00
               116           117           118           119           120 
      1  -0.128610D+00  0.408158D+00  0.343713D+01 -0.495298D+00 -0.219470D+01
      2  -0.105521D+01  0.108676D+01 -0.495298D+00  0.599816D+00  0.111602D+00
      3   0.108676D+01 -0.853372D+00 -0.219470D+01  0.111602D+00  0.288591D+01
               121           122           123           124           125 
      1  -0.169789D+01  0.525493D+00  0.785759D+00 -0.279169D+01  0.272252D-01
      2   0.525493D+00 -0.642679D-01 -0.938381D+00  0.272252D-01 -0.995833D+00
      3   0.785759D+00 -0.938381D+00 -0.168296D+01  0.253819D+01 -0.396166D+00
               126           127           128           129           130 
      1   0.253819D+01  0.206649D+01  0.791487D+00  0.964678D+00  0.249923D+01
      2  -0.396166D+00  0.791487D+00  0.208246D+00  0.326068D+00  0.556763D-01
      3  -0.464735D+01  0.964678D+00  0.326068D+00  0.312645D+00  0.399280D+00
               131           132           133           134           135 
      1   0.556763D-01  0.399280D+00  0.153632D+01  0.397719D+00  0.173429D+00
      2   0.308392D+01  0.166064D+01  0.397719D+00  0.179505D+01  0.157376D+01
      3   0.166064D+01  0.215387D+01  0.173429D+00  0.157376D+01  0.240397D+01
               136           137           138           139           140 
      1  -0.404883D+00 -0.215965D+01  0.598586D+00 -0.533976D+01  0.233853D+00
      2  -0.215965D+01 -0.128469D+01 -0.210803D+00  0.233853D+00 -0.200720D+01
      3   0.598586D+00 -0.210803D+00 -0.165877D+01 -0.170621D-02  0.625038D+00
               141           142           143           144           145 
      1  -0.170621D-02  0.625018D+00 -0.183934D+00 -0.625906D+00 -0.139426D+00
      2   0.625038D+00 -0.183934D+00  0.201381D+00 -0.703371D+00  0.440094D+01
      3  -0.424517D+00 -0.625906D+00 -0.703371D+00  0.431470D+00 -0.322589D+01
               146           147           148           149           150 
      1   0.440094D+01 -0.322589D+01  0.456281D+01 -0.238291D+00 -0.216863D+00
      2  -0.283877D+00 -0.181205D+00 -0.238291D+00 -0.127290D+01 -0.398154D+01
      3  -0.181205D+00 -0.203490D+00 -0.216863D+00 -0.398154D+01 -0.150701D+01
               151           152           153           154           155 
      1  -0.302234D+01 -0.147549D-01  0.343560D-01  0.427532D+00 -0.370084D+01
      2  -0.147549D-01 -0.333724D+01 -0.148710D+01 -0.370084D+01  0.670588D+00
      3   0.343560D-01 -0.148710D+01  0.201423D+01  0.195832D+01 -0.703072D+00
               156           157           158           159           160 
      1   0.195832D+01 -0.432983D+01  0.109198D+01 -0.889718D+00  0.222574D+01
      2  -0.703072D+00  0.109198D+01  0.415602D+01  0.219575D+01 -0.841501D+00
      3   0.298062D+01 -0.889718D+00  0.219575D+01 -0.758667D+00  0.396881D+01
               161           162           163           164           165 
      1  -0.841501D+00  0.396881D+01 -0.151339D+00 -0.485576D+01  0.158773D+01
      2   0.222775D+01 -0.659705D+00 -0.485576D+01  0.410440D+00 -0.953486D+00
      3  -0.659705D+00 -0.448422D+01  0.158773D+01 -0.953486D+00  0.235080D+01
               166           167           168           169           170 
      1  -0.474164D+01  0.341663D-01 -0.101146D+01  0.181746D+01 -0.109609D+01
      2   0.341663D-01  0.174165D+01  0.254878D+01 -0.109609D+01  0.269355D+01
      3  -0.101146D+01  0.254878D+01 -0.505338D+00  0.286927D+01 -0.129929D+01
               171           172           173           174           175 
      1   0.286927D+01  0.443116D+01 -0.225205D+01  0.233492D+01 -0.249182D+01
      2  -0.129929D+01 -0.225205D+01  0.205787D+01 -0.139648D+01  0.159412D+01
      3  -0.518524D+01  0.233492D+01 -0.139648D+01  0.306392D+01 -0.109816D+01
               176           177           178           179           180 
      1   0.159412D+01 -0.109816D+01  0.133470D+01 -0.669629D+00  0.151178D+01
      2  -0.223609D+01  0.194298D+01 -0.669629D+00  0.108973D+01 -0.955038D+00
      3   0.194298D+01 -0.187250D+01  0.151178D+01 -0.955038D+00  0.178383D+01
               181           182           183           184           185 
      1  -0.408979D+01 -0.214429D+01  0.221648D+01 -0.236524D+01 -0.149510D+01
      2  -0.214429D+01 -0.193636D+01  0.135140D+01 -0.149510D+01 -0.213308D+01
      3   0.221648D+01  0.135140D+01 -0.305266D+01  0.107023D+01  0.184538D+01
               186           187           188           189           190 
      1   0.107023D+01  0.154502D+01  0.716361D+00 -0.155135D+01  0.166859D+00
      2   0.184538D+01  0.716361D+00  0.110348D+01 -0.924046D+00  0.174714D+00
      3  -0.195406D+01 -0.155135D+01 -0.924046D+00  0.194724D+01  0.970622D+00
               191           192           193           194           195 
      1   0.174714D+00  0.970622D+00  0.817860D+00  0.320279D-01  0.204581D+00
      2   0.110732D+00  0.141240D+00  0.320279D-01  0.384659D+01  0.257065D+01
      3   0.141240D+00  0.249405D+00  0.204581D+00  0.257065D+01  0.444260D+01
               196           197           198           199           200 
      1   0.869219D+00  0.519649D-01  0.626494D-01 -0.408346D+00 -0.904805D+00
      2   0.519649D-01  0.197124D+01  0.209359D+01 -0.904805D+00 -0.905833D+00
      3   0.626494D-01  0.209359D+01  0.388064D+01 -0.551137D+00 -0.941447D-02
               201           202           203           204           205 
      1  -0.551137D+00 -0.254458D+01 -0.168683D+01  0.906142D-01 -0.108803D+01
      2  -0.941447D-02 -0.168683D+01 -0.592222D+01 -0.105436D+01 -0.124436D+00
      3  -0.329288D+00  0.906142D-01 -0.105436D+01 -0.117631D+01 -0.544108D+00
               206           207           208           209           210 
      1  -0.124436D+00 -0.544108D+00 -0.707789D+01  0.184734D+01 -0.196552D+01
      2  -0.118338D+01 -0.796472D+00  0.184734D+01 -0.127029D+01  0.501816D+00
      3  -0.796472D+00 -0.226036D+00 -0.196552D+01  0.501816D+00 -0.160462D+01
               211           212           213           214           215 
      1   0.401041D+01 -0.176963D+01  0.883654D+00 -0.403551D+01  0.915640D+00
      2  -0.176963D+01  0.125669D+01 -0.839178D+00  0.915640D+00 -0.117286D+01
      3   0.883654D+00 -0.839178D+00  0.103229D+01 -0.230908D+01  0.681672D+00
               216           217           218           219           220 
      1  -0.230908D+01 -0.231037D+01  0.230747D+00  0.160142D+01  0.743216D+00
      2   0.681672D+00  0.230747D+00 -0.399578D+00  0.127947D+00 -0.661248D+00
      3  -0.131624D+01  0.160142D+01  0.127947D+00 -0.186826D+01 -0.415577D-01
               221           222           223           224           225 
      1  -0.661248D+00 -0.415577D-01  0.379997D+01  0.231558D+00 -0.343653D+01
      2  -0.251505D+00  0.591357D+00  0.231558D+00  0.978235D+00 -0.378915D-01
      3   0.591357D+00  0.279841D+00 -0.343653D+01 -0.378915D-01  0.638328D+01
               226           227           228           229           230 
      1   0.408635D+01  0.172748D+01 -0.498152D+00  0.206477D+01  0.169343D+01
      2   0.172748D+01  0.311641D+01  0.402520D+00  0.169343D+01  0.338693D+01
      3  -0.498152D+00  0.402520D+00  0.778005D+00  0.886509D-01 -0.129564D+00
               231           232           233           234           235 
      1   0.886509D-01 -0.588568D+00  0.188213D+00  0.319984D+00 -0.114342D+01
      2  -0.129564D+00  0.188213D+00 -0.595594D+00  0.573051D+00  0.952460D+00
      3   0.648307D+00  0.319984D+00  0.573051D+00  0.322777D+00  0.109966D+01
               236           237           238           239           240 
      1   0.952460D+00  0.109966D+01  0.382789D+00 -0.293780D+00 -0.513932D-01
      2  -0.657839D+00 -0.394220D+00 -0.293780D+00  0.390216D+00  0.800907D+00
      3  -0.394220D+00 -0.153752D+01 -0.513932D-01  0.800907D+00  0.519817D+00
               241           242           243           244           245 
      1   0.177592D+01 -0.844059D+00 -0.212593D+01 -0.477953D+01  0.356006D+01
      2  -0.844059D+00  0.225784D+01  0.214332D+01  0.356006D+01 -0.364191D+01
      3  -0.212593D+01  0.214332D+01  0.725232D+01 -0.112379D+01  0.725419D+00
               246           247           248           249           250 
      1  -0.112379D+01  0.268754D+01 -0.251250D+01  0.655822D+00 -0.230747D+01
      2   0.725419D+00 -0.251250D+01  0.373002D+01 -0.109259D+01  0.163854D+01
      3  -0.139217D+01  0.655822D+00 -0.109259D+01  0.764707D+00 -0.142809D+01
               251           252           253           254           255 
      1   0.163854D+01 -0.142809D+01  0.461562D+01  0.198960D+01 -0.433951D+00
      2  -0.258948D+01  0.125248D+01  0.198960D+01  0.100424D+01 -0.104696D+00
      3   0.125248D+01 -0.810771D+00 -0.433951D+00 -0.104696D+00  0.744902D+00
               256           257           258           259           260 
      1  -0.198484D+01 -0.210320D+01 -0.116777D+00 -0.141154D+00  0.222724D+00
      2  -0.210320D+01 -0.495945D+01  0.318230D+00  0.222724D+00  0.442960D+00
      3  -0.116777D+00  0.318230D+00 -0.410998D+00  0.987044D+00 -0.741973D+00
               261           262           263           264           265 
      1   0.987044D+00 -0.217466D+01 -0.407591D+01  0.357801D+00 -0.530960D+01
      2  -0.741973D+00 -0.407591D+01  0.571946D-01  0.194651D+00 -0.128589D+01
      3   0.382791D+00  0.357801D+00  0.194651D+00  0.353262D+00  0.185904D+00
               266           267           268           269           270 
      1  -0.128589D+01  0.185904D+00  0.617116D+00  0.219480D+00 -0.102448D+01
      2   0.293375D+01  0.395946D+00  0.219480D+00  0.542102D+00  0.437296D+01
      3   0.395946D+00  0.381170D+01 -0.102448D+01  0.437296D+01 -0.102002D+01
               271           272           273           274           275 
      1   0.132135D+01  0.213890D+01 -0.251099D+00  0.875410D+01  0.356387D+01
      2   0.213890D+01  0.123404D+01  0.973967D-02  0.356387D+01  0.102799D+02
      3  -0.251099D+00  0.973967D-02  0.913537D-01  0.897403D-01 -0.483996D+00
               276           277           278           279           280 
      1   0.897403D-01 -0.620658D+00 -0.150396D+00  0.118032D+01  0.900686D+00
      2  -0.483996D+00 -0.150396D+00 -0.614136D+00  0.244292D+01 -0.793199D-01
      3   0.183143D+01  0.118032D+01  0.244292D+01 -0.628124D+00  0.775095D+00
               281           282           283           284           285 
      1  -0.793199D-01  0.775095D+00 -0.159206D+01  0.143637D+01 -0.601950D+00
      2  -0.332735D-01 -0.927604D-01  0.143637D+01 -0.344642D+01  0.179229D+01
      3  -0.927604D-01  0.145217D+00 -0.601950D+00  0.179229D+01 -0.255452D+01
               286           287           288           289           290 
      1   0.276672D+01 -0.115346D+01  0.159603D+01  0.896365D+01  0.169129D+01
      2  -0.115346D+01  0.263980D+01 -0.282235D+01  0.169129D+01  0.145645D+01
      3   0.159603D+01 -0.282235D+01  0.481887D+01 -0.205462D+00 -0.538466D-01
               291           292           293           294           295 
      1  -0.205462D+00  0.435413D+01  0.149234D+01 -0.662137D-01 -0.539072D+00
      2  -0.538466D-01  0.149234D+01  0.131989D+01 -0.110867D+00 -0.434583D-01
      3   0.118081D+01 -0.662137D-01 -0.110867D+00  0.382307D+00  0.116242D+01
               296           297           298           299           300 
      1  -0.434583D-01  0.116242D+01  0.714279D+00 -0.137977D+00 -0.672862D+00
      2  -0.176135D+00 -0.119194D+00 -0.137977D+00 -0.171216D+00  0.641505D-02
      3  -0.119194D+00 -0.636202D-01 -0.672862D+00  0.641505D-02 -0.196910D-01
               301           302           303           304           305 
      1  -0.188338D+01  0.157663D+01  0.422982D+00 -0.245940D+01  0.101482D+01
      2   0.157663D+01 -0.445298D+01 -0.197709D+01  0.101482D+01 -0.291195D+01
      3   0.422982D+00 -0.197709D+01 -0.256297D+01  0.119523D+01 -0.273747D+01
               306 
      1   0.119523D+01
      2  -0.273747D+01
      3  -0.345876D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.273112D+01 -0.127351D+01 -0.620654D+01 -0.148668D+01  0.898391D+01
      2   0.237024D+01  0.749104D+01  0.162504D+02  0.583490D+01  0.149119D+01
      3  -0.454914D+00 -0.597146D+01 -0.549615D+01 -0.177934D+01 -0.713566D+01
                 6             7             8             9            10 
      1   0.245286D+01 -0.564635D+01  0.737009D+01 -0.748106D+01 -0.106684D+01
      2  -0.168907D+01  0.768652D+01 -0.321726D+01 -0.917424D+01  0.173942D+01
      3   0.244649D+00 -0.278941D+01 -0.493418D+00  0.879317D+01  0.809849D+01
                11            12            13            14            15 
      1  -0.462751D+01  0.501623D+01 -0.478704D+01 -0.715013D+01 -0.898436D+01
      2  -0.626021D+00  0.273035D+01 -0.377280D+00  0.178736D+01  0.195687D+01
      3  -0.128875D+02  0.128422D+01 -0.783111D+01  0.280862D+00  0.289262D+01
                16            17            18            19            20 
      1   0.350976D+01 -0.210340D+01  0.604828D+01  0.626311D+01  0.206908D+00
      2  -0.189250D+01  0.125851D+01 -0.208843D+00 -0.581880D+01 -0.328914D+01
      3   0.194732D-01  0.229930D+01 -0.492542D+01 -0.722667D+01 -0.398423D+01
                21            22            23            24            25 
      1   0.657211D+00  0.159105D+01 -0.872047D+01 -0.485040D+01  0.200786D+00
      2  -0.398753D+01 -0.389731D+01 -0.245585D+01  0.140414D+01 -0.123054D+02
      3  -0.276555D+01  0.242193D+01  0.560516D+01  0.133457D+01 -0.209690D+01
                26            27            28            29            30 
      1   0.126813D+01  0.625714D+01 -0.750454D+01  0.760356D-01  0.419112D+01
      2   0.296859D+01  0.110145D+02  0.366598D+01  0.346869D+01  0.467851D+01
      3   0.954489D+00 -0.293969D+01  0.239635D+01  0.172852D+01  0.424348D+01
                31            32            33            34            35 
      1  -0.521839D+00  0.953628D+01 -0.779224D+01  0.557989D+01 -0.103846D+01
      2   0.660121D+01 -0.130480D+01 -0.502685D+00 -0.106781D+01 -0.219102D+00
      3   0.780015D+01  0.305449D+01 -0.144335D+01  0.402223D+01 -0.771902D+00
                36            37            38            39            40 
      1  -0.173357D+01  0.613212D+00  0.845745D+00 -0.179268D+01 -0.110417D+01
      2  -0.631399D+01  0.483678D+01 -0.211818D+01  0.103050D+01 -0.365329D+01
      3  -0.371378D+01 -0.238443D+01  0.415868D+01  0.701716D+00  0.649165D+01
                41            42            43            44            45 
      1   0.120613D+01 -0.193772D+01 -0.477839D+01  0.116828D+01 -0.386733D+01
      2  -0.153771D+01 -0.183227D+01 -0.465399D+01 -0.205984D+01  0.150412D+01
      3   0.929287D+00  0.145265D+01 -0.990918D+00  0.320546D-01  0.101393D+01
                46            47            48            49            50 
      1  -0.233989D+01  0.425091D+00 -0.225727D+00  0.172942D+01  0.342335D+01
      2  -0.189797D+01  0.365208D+01  0.601110D+00  0.352831D+01 -0.305769D+01
      3  -0.257575D+01  0.500784D+00 -0.163708D+01  0.744644D+01 -0.158593D+01
                51            52            53            54            55 
      1   0.144336D+01  0.404880D+00  0.888737D+01  0.931060D+00  0.230501D+01
      2  -0.174031D+00 -0.843895D+01 -0.396633D+00  0.142803D+01 -0.100498D+02
      3   0.160515D+01 -0.176997D+01  0.366257D+01  0.116562D+01  0.677412D+01
                56            57            58            59            60 
      1   0.465652D+01 -0.170416D+01  0.269251D+01  0.232476D+01 -0.133708D+01
      2  -0.294739D+01  0.318511D+00 -0.369095D+01 -0.250851D+01  0.482202D+00
      3  -0.214885D+01  0.137557D+01  0.234393D+01 -0.905350D+00 -0.710391D-01
                61            62            63            64            65 
      1  -0.350456D+00  0.125526D+01  0.161475D+00 -0.838576D+00 -0.287480D+01
      2  -0.244229D+01 -0.964928D-01  0.712609D+00  0.910139D+01 -0.413580D+01
      3   0.132918D+01 -0.605655D+00  0.905412D-01 -0.593989D+01  0.196213D+01
                66            67            68            69            70 
      1   0.415314D+01 -0.660209D+00 -0.102756D+00 -0.117164D+01  0.230497D+01
      2  -0.880577D+01 -0.242187D+01  0.347836D+01  0.273658D+01 -0.925041D+01
      3   0.540325D+01  0.314694D+01 -0.196033D+01 -0.294033D+01  0.449288D+01
                71            72            73            74            75 
      1   0.305021D+01 -0.481256D+01  0.128180D+01  0.403677D+00  0.389005D+01
      2   0.415963D+01  0.122838D+02  0.396295D+00 -0.170968D+00  0.100645D+01
      3  -0.249511D+01 -0.677267D+01 -0.185659D+02  0.670061D+01 -0.874169D+00
                76            77            78            79            80 
      1  -0.729814D-01  0.111162D+01 -0.220017D+01  0.125274D+01  0.379547D+00
      2  -0.343566D+00  0.142175D+00 -0.927881D+00 -0.183778D+01  0.320263D+00
      3   0.809706D+01 -0.636779D+01 -0.325239D+00 -0.748784D-01 -0.644616D+00
                81            82            83            84            85 
      1  -0.381189D+00  0.191667D+01  0.196037D+01 -0.514557D+01  0.183955D+01
      2  -0.193084D+00 -0.138103D+00 -0.481765D+00  0.231591D+01  0.212474D+00
      3  -0.165036D+01  0.649499D+01  0.818850D+00 -0.167000D+01  0.496977D+01
                86            87            88            89            90 
      1   0.365528D+01 -0.473318D+01 -0.219538D+01 -0.830620D+00  0.442554D+01
      2  -0.763411D+00  0.184498D+01 -0.660517D+00  0.992155D+00 -0.127127D+01
      3  -0.176137D+00 -0.671601D+00 -0.270830D+01  0.448994D-01  0.128307D+01
                91            92            93            94            95 
      1   0.196420D+01 -0.194921D+00  0.143098D+01  0.299642D+00  0.828938D+00
      2   0.282112D+01 -0.216423D+01  0.123455D+02 -0.297193D+01  0.644266D+01
      3   0.133302D+02 -0.347051D+01  0.726614D+00  0.746507D+01 -0.897936D+01
                96            97            98            99           100 
      1  -0.469315D+01  0.138933D+01  0.218238D+01 -0.403932D+01 -0.214729D+01
      2  -0.179756D+01  0.451969D+01 -0.154501D+01 -0.112335D+02 -0.274835D+01
      3  -0.658309D+01  0.101174D+01 -0.568907D+01 -0.168319D+00  0.606510D+00
               101           102           103           104           105 
      1   0.331726D+01  0.216106D+00  0.166699D+01 -0.322660D+01  0.878383D+00
      2   0.119610D+01  0.297088D+01  0.265727D+01  0.110066D+01 -0.255050D+01
      3  -0.313805D+01  0.769786D+00  0.474282D+00  0.286022D+01 -0.291359D+01
               106           107           108           109           110 
      1  -0.469084D+00  0.511889D+01 -0.850201D+00 -0.161927D+01 -0.642690D+00
      2  -0.221645D+01 -0.133921D+01  0.400984D+01 -0.224478D+00  0.129681D+01
      3  -0.619514D+00 -0.329212D+01  0.195043D+01  0.549692D+00  0.337748D+00
               111           112           113           114           115 
      1  -0.355631D+00 -0.960035D+00 -0.123321D+02 -0.167743D+01 -0.327469D-01
      2   0.721584D-01  0.317660D+01  0.252927D+01  0.425801D+00 -0.161767D+01
      3  -0.169267D+00  0.591596D+01 -0.158155D+01 -0.292827D+00 -0.337808D+00
               116           117           118           119           120 
      1   0.953137D+00 -0.961734D+00  0.386489D+01 -0.231546D+01 -0.337871D+01
      2  -0.632316D-01  0.119591D+01  0.762424D+01 -0.891206D+00 -0.845042D+00
      3  -0.411635D+00  0.373466D+00  0.418006D+01 -0.237325D+01 -0.330267D+01
               121           122           123           124           125 
      1  -0.162367D+01  0.196928D+01  0.271419D+01 -0.253401D+01  0.452286D+01
      2  -0.447105D+01  0.878440D+00  0.382848D-01 -0.613195D+01 -0.318636D+00
      3  -0.682689D+00  0.163430D+01  0.129726D+01 -0.331430D+01  0.168638D+01
               126           127           128           129           130 
      1   0.578111D+01  0.819643D+00 -0.272608D-01 -0.742664D+00  0.177004D+00
      2   0.280666D+01 -0.433241D-01  0.169039D+00  0.475315D+00 -0.165323D+01
      3   0.363753D+01  0.123823D+01  0.690749D+00  0.377388D+00  0.666526D+01
               131           132           133           134           135 
      1   0.675849D+00 -0.247765D+01  0.800543D+00  0.121398D+01 -0.198171D+01
      2   0.193161D+01  0.200017D+01 -0.363069D+01  0.962028D+00  0.258132D+01
      3  -0.215960D+01 -0.106329D+01  0.226214D+01 -0.112856D+01 -0.208596D+00
               136           137           138           139           140 
      1  -0.472179D+00  0.777844D-01 -0.658108D+00  0.205175D+00 -0.161265D+01
      2  -0.382383D+00 -0.840240D+00  0.734413D+01  0.203253D+01  0.693774D+00
      3   0.151727D+02 -0.822637D+01  0.167608D+01  0.129315D+02  0.529959D+01
               141           142           143           144           145 
      1  -0.354251D+01  0.723251D+00  0.141202D+01  0.300655D+00  0.977563D+01
      2  -0.138083D+01 -0.849500D+01 -0.275280D+01  0.666583D+00  0.193244D+01
      3  -0.814182D+00 -0.190472D+00  0.332366D+00  0.211446D+01  0.281818D+01
               146           147           148           149           150 
      1  -0.406793D+00  0.174720D-01 -0.591974D+00 -0.756735D+01 -0.172925D+02
      2  -0.126683D+02  0.144052D+02 -0.121013D+02  0.261569D+01  0.608040D+00
      3  -0.617945D+01  0.349597D+01 -0.236405D+01 -0.258412D+00 -0.181046D+01
               151           152           153           154           155 
      1  -0.459997D+00 -0.965757D+01 -0.323907D+01 -0.100502D+01  0.123108D+00
      2   0.629360D+01  0.125825D+01 -0.140154D+01 -0.796697D+01  0.384075D+01
      3   0.231047D+01 -0.209232D+01 -0.944881D+00 -0.145924D+02  0.209886D+01
               156           157           158           159           160 
      1   0.599759D+00  0.656131D+00  0.290236D+01 -0.910791D+00  0.137174D+01
      2  -0.106844D+02  0.494432D+01 -0.955031D+01  0.264677D+01 -0.206793D+02
      3  -0.289751D+01  0.907085D+01  0.192521D+02  0.897973D+01 -0.367584D+01
               161           162           163           164           165 
      1   0.297633D+01 -0.103203D+01 -0.824344D+01  0.223911D+01 -0.603785D+01
      2   0.212838D+01  0.174687D+02 -0.308829D+01  0.688042D+01 -0.437153D+01
      3   0.904636D+01 -0.267950D+01 -0.131014D+02 -0.154652D+02  0.112563D+01
               166           167           168           169           170 
      1   0.208354D+01 -0.604220D+01  0.138251D+01 -0.826046D+01  0.911930D+01
      2   0.622199D+01 -0.531926D+01  0.175635D+01 -0.101456D+02  0.409441D+01
      3  -0.107587D+02  0.250136D+01  0.350591D+01  0.178381D+01  0.341866D+01
               171           172           173           174           175 
      1   0.135959D+02 -0.468853D+01  0.554785D+01 -0.120512D-01  0.351565D+01
      2   0.108260D+02 -0.152860D+02  0.688629D+01 -0.565390D+01  0.835861D+01
      3   0.297684D+01 -0.690400D+01  0.148377D+01 -0.268790D+01  0.488943D+01
               176           177           178           179           180 
      1  -0.451827D+01  0.151957D+01 -0.871398D+00  0.339402D+01 -0.957124D+00
      2  -0.543235D+01  0.321941D+01 -0.601910D+01  0.290702D+01 -0.458091D+01
      3  -0.188584D+01  0.202776D+01 -0.175804D+01  0.657003D+00 -0.199063D+01
               181           182           183           184           185 
      1  -0.416878D+01 -0.546744D+01 -0.226652D+00 -0.325234D+01 -0.409228D+01
      2   0.116954D+02  0.461117D+01 -0.933539D+00  0.649472D+01  0.253610D+01
      3   0.343053D+01 -0.138810D+01 -0.507398D+00  0.243460D+01 -0.110253D+01
               186           187           188           189           190 
      1   0.133086D+01  0.873369D+00  0.353050D+01 -0.106771D+01  0.114452D+01
      2  -0.501577D+00 -0.424440D+01 -0.151121D+01  0.202905D+01 -0.780597D+00
      3   0.511968D+00 -0.830563D+00  0.759969D+00  0.659947D+00  0.211018D+00
               191           192           193           194           195 
      1  -0.102861D+00  0.511277D+00 -0.266035D+00  0.157313D+02  0.784176D+01
      2  -0.616957D+00 -0.155631D+01 -0.411964D+01 -0.123391D+01 -0.295844D+01
      3  -0.537644D+00 -0.527833D+00  0.169699D+01  0.184752D+01  0.148846D+01
               196           197           198           199           200 
      1   0.209626D+00  0.921487D+01  0.807024D+01 -0.689956D+00 -0.110079D-01
      2  -0.387309D+01 -0.141301D+01 -0.276284D+01  0.197387D+01  0.375836D+00
      3   0.150140D+00  0.128273D+01  0.112899D+01 -0.376016D+01 -0.280330D+01
               201           202           203           204           205 
      1  -0.337550D+00  0.327418D-01 -0.287186D+01 -0.374641D+01  0.129630D-01
      2   0.145298D+01 -0.210304D+00  0.498464D+01  0.581461D+01  0.482978D+00
      3   0.438033D+00 -0.573116D+00 -0.255151D+02 -0.536349D+01  0.815085D+00
               206           207           208           209           210 
      1  -0.301898D+00 -0.868115D+00  0.792914D-01  0.486315D+00  0.304229D+00
      2   0.349752D+01  0.175130D+01  0.890106D+01 -0.271456D+01  0.909837D+01
      3  -0.568548D+01 -0.317291D+01  0.798572D+01 -0.783219D+01  0.278711D+01
               211           212           213           214           215 
      1  -0.264113D+00 -0.486614D+00 -0.106078D+01 -0.110440D+00  0.112477D+01
      2  -0.394158D+01  0.372383D+01 -0.539219D+01  0.770816D+01 -0.282713D+01
      3  -0.501597D+01  0.582658D+01 -0.333583D+01  0.363440D+01 -0.608565D+01
               216           217           218           219           220 
      1   0.376550D+00  0.481191D+00 -0.738087D+00 -0.739273D+00 -0.576617D-01
      2   0.652357D+01 -0.500640D+01 -0.486132D+00  0.767501D+01 -0.344464D+00
      3   0.291630D+01  0.123589D+01 -0.248335D+01 -0.791242D-01 -0.110845D+01
               221           222           223           224           225 
      1   0.899189D-01 -0.634201D+00 -0.575524D+00  0.316727D+01  0.178488D+01
      2  -0.180531D+01 -0.868793D+00  0.787924D+01  0.615844D-01 -0.253946D+02
      3  -0.969461D+00  0.168250D+01  0.306168D+00  0.516825D+01  0.177414D+00
               226           227           228           229           230 
      1   0.343594D+01  0.142308D+01 -0.365841D+01  0.161877D+01  0.257662D+01
      2  -0.319353D+01 -0.201704D+01  0.407107D+00 -0.185861D+01 -0.113039D+01
      3   0.190535D+02  0.916469D+01 -0.145521D+01  0.113672D+02  0.102990D+02
               231           232           233           234           235 
      1  -0.306299D+01 -0.155787D+01 -0.590546D+00  0.147056D+00 -0.175651D+01
      2  -0.321311D+00 -0.115224D+01 -0.101481D+01 -0.753313D+00 -0.129045D+01
      3  -0.371085D+00 -0.203105D+01 -0.795829D+00  0.225738D+01  0.848424D-01
               236           237           238           239           240 
      1  -0.212430D-01  0.339843D+01  0.417415D+00 -0.192302D+01 -0.140314D+01
      2   0.411882D+00  0.351800D+01 -0.175655D+00 -0.176524D+01 -0.662445D+00
      3  -0.569850D+00  0.118440D+01  0.117779D+01 -0.635118D-03  0.123169D+01
               241           242           243           244           245 
      1   0.407735D+01  0.574100D+00 -0.174147D+02  0.528485D+01 -0.361948D+01
      2   0.254804D+00 -0.382146D+01 -0.155301D+02  0.482006D+01 -0.371564D+01
      3   0.293880D+01  0.422525D+01  0.343248D+00 -0.370803D+01 -0.278011D+01
               246           247           248           249           250 
      1   0.538885D+01 -0.342940D+01  0.469067D+01 -0.425101D+01  0.410294D+01
      2   0.576931D+01 -0.304873D+01  0.404448D+01 -0.307543D+01  0.329629D+01
      3  -0.128650D+01  0.292285D+01  0.311757D+01 -0.625940D+00 -0.263440D+01
               251           252           253           254           255 
      1  -0.291246D+01  0.339206D+01 -0.165276D+00 -0.121939D+00 -0.113730D+01
      2  -0.352267D+01  0.334415D+01 -0.320191D+01 -0.105863D+01 -0.109699D+02
      3  -0.325331D+01 -0.304231D+00 -0.121681D+02  0.875980D+00  0.655136D+00
               256           257           258           259           260 
      1   0.382268D+00  0.157240D+01  0.733057D+01  0.667904D+00  0.974419D+01
      2  -0.221707D+01  0.195642D+01 -0.710098D+01 -0.194701D+02 -0.102012D+01
      3   0.143576D+00  0.214989D+02 -0.165815D+01  0.234876D+01 -0.233859D+01
               261           262           263           264           265 
      1  -0.176533D+01 -0.170780D+00  0.390635D+00  0.163364D+01  0.445500D-01
      2   0.163975D+01  0.169885D+01  0.153288D+01  0.595459D+01  0.191059D+01
      3   0.251100D+01  0.198671D+02 -0.840154D+00 -0.119926D+01  0.146467D+02
               266           267           268           269           270 
      1   0.826978D+00  0.187993D+01 -0.338984D+01  0.739323D+01 -0.620852D+00
      2   0.188143D+01  0.164904D+02 -0.836780D+01  0.213091D+02 -0.474828D+01
      3  -0.120595D+02 -0.192063D+01 -0.128055D+01 -0.274752D+01 -0.195755D+02
               271           272           273           274           275 
      1   0.573513D+00  0.393101D+00  0.870194D+00  0.268513D+00 -0.535015D-01
      2  -0.103619D+01 -0.724587D-01  0.636231D+01  0.578795D+00 -0.240221D+01
      3  -0.782491D+01 -0.720953D+01 -0.388535D+00  0.367705D+01 -0.371378D+02
               276           277           278           279           280 
      1  -0.972551D+01 -0.163567D+00  0.391947D+00  0.109523D+01  0.451617D+00
      2   0.108582D+02  0.464449D+01  0.776527D+01 -0.306445D+01  0.311841D+01
      3   0.196829D+01 -0.116334D+01  0.253639D+01 -0.773562D+01  0.101349D-01
               281           282           283           284           285 
      1  -0.145414D+00 -0.701327D-01 -0.640523D+00  0.878945D+00 -0.351501D+01
      2  -0.332920D+00  0.710832D+00 -0.203621D+01  0.804224D+01 -0.113187D+02
      3  -0.585950D+00 -0.378171D+00 -0.339548D+01  0.138157D+02 -0.742209D+01
               286           287           288           289           290 
      1   0.113952D+01 -0.711083D+00  0.476076D+01 -0.113711D+00  0.189072D-01
      2   0.465735D+01 -0.124973D+02  0.212613D+02 -0.190635D+01 -0.499369D+00
      3   0.182148D+01 -0.109758D+02  0.117311D+02 -0.137478D+02 -0.100808D+02
               291           292           293           294           295 
      1   0.396123D+00  0.640184D-01 -0.340978D-01 -0.770487D+00  0.702793D+00
      2   0.721059D+01 -0.692789D+00 -0.666084D+00  0.224741D+01  0.368442D+01
      3   0.483056D+00 -0.743879D+01 -0.741312D+01  0.556922D+00  0.500563D+00
               296           297           298           299           300 
      1   0.462535D+00 -0.214772D-01 -0.533385D+00 -0.108341D-02 -0.245822D+00
      2  -0.661858D+00 -0.451612D+00 -0.302102D+01 -0.197400D+00  0.257994D+00
      3   0.935118D+00  0.907924D-01  0.470795D+00  0.188667D+00  0.823125D+00
               301           302           303           304           305 
      1   0.819122D+00 -0.201936D+01 -0.415778D+01  0.101645D+01 -0.148329D+01
      2   0.167456D+01 -0.932731D+01 -0.114755D+02  0.368967D+01 -0.123286D+02
      3  -0.345352D+01  0.183151D+02  0.846410D+01 -0.148108D+01  0.124648D+02
               306 
      1  -0.426112D+01
      2  -0.155826D+02
      3   0.115668D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.161288D+01 -0.104874D+02 -0.189823D+02 -0.759133D+01 -0.972579D+01
      2   0.732490D+01  0.372847D+01 -0.395391D+01  0.367575D+01  0.104684D+02
      3  -0.571202D+01  0.675891D+01  0.229362D+02  0.391558D+01 -0.742643D+00
      4  -0.157054D+02 -0.986622D+01 -0.128323D+02 -0.856039D+01  0.451998D+01
      5  -0.166860D+02 -0.146870D+02 -0.977972D+01 -0.113162D+02 -0.146802D+01
      6  -0.211640D+02 -0.673178D+01  0.469118D+01 -0.494505D+01  0.673781D+01
                 6             7             8             9            10 
      1   0.178800D+01 -0.130562D+02  0.255935D+01  0.137739D+02  0.946431D+01
      2   0.737553D+01 -0.320777D+01  0.636537D+01 -0.553087D+01 -0.204062D+02
      3  -0.916353D+01  0.162639D+02 -0.892472D+01 -0.824306D+01  0.109419D+02
      4  -0.102931D+01 -0.722053D+01 -0.868693D-01 -0.219631D+00  0.982980D+00
      5  -0.590108D+01 -0.267278D+01 -0.467648D+01  0.102749D+02  0.402462D+01
      6  -0.495742D+01  0.404564D+01 -0.701433D+01 -0.925113D+01  0.548050D+01
                11            12            13            14            15 
      1  -0.137683D+01 -0.183330D+00 -0.296163D+01 -0.435192D+00 -0.475282D+01
      2  -0.184300D+01  0.831832D+01 -0.723894D+00 -0.330872D+01  0.110664D+02
      3   0.321983D+01 -0.813499D+01  0.368552D+01  0.374392D+01 -0.631359D+01
      4  -0.169086D+02  0.631202D+01 -0.123776D+02 -0.274702D+01  0.929343D+01
      5   0.518619D+01 -0.370272D+01  0.433705D+01  0.730985D+01  0.321283D+01
      6   0.779220D+01 -0.577168D+01  0.601866D+01  0.977196D+01  0.139794D+01
                16            17            18            19            20 
      1  -0.219040D+01 -0.584191D+01 -0.399891D+01 -0.373878D+00  0.511039D+01
      2   0.809238D+01  0.140595D+02  0.869046D+01  0.139370D+00 -0.533220D+01
      3  -0.590199D+01 -0.821761D+01 -0.469155D+01  0.234508D+00  0.221812D+00
      4   0.370762D+01  0.977268D+01 -0.351906D+01  0.911271D+01 -0.392453D+01
      5  -0.376658D+01  0.133394D+00 -0.435324D+01 -0.145190D+01  0.107612D+02
      6  -0.482573D+01  0.119222D+01 -0.269881D+01  0.110145D+02  0.146701D+00
                21            22            23            24            25 
      1   0.664240D+01  0.492767D+01  0.386167D+01 -0.985044D+00  0.949570D+01
      2   0.102446D+02 -0.599059D+01  0.104955D+01 -0.863710D+01  0.560371D+01
      3  -0.168870D+02  0.106292D+01 -0.491122D+01  0.962214D+01 -0.150994D+02
      4   0.783176D+01 -0.406743D+01 -0.608627D+01 -0.921136D+01  0.671801D+01
      5  -0.144743D+02  0.101720D+02 -0.988919D+01  0.116319D+02 -0.186566D+02
      6   0.949254D+01 -0.291528D+01 -0.753127D+01 -0.763862D+01  0.801744D+01
                26            27            28            29            30 
      1  -0.156937D+01 -0.156024D+02  0.116380D+00  0.171859D+01 -0.906565D+01
      2  -0.568728D+01  0.924651D+01  0.753581D+01 -0.291177D+01 -0.682080D+01
      3   0.725665D+01  0.635585D+01 -0.765219D+01  0.119318D+01  0.158865D+02
      4  -0.540811D+01  0.133979D+02  0.173464D+01  0.176700D+01 -0.420942D+00
      5   0.129555D+02 -0.872625D+01 -0.390482D+00 -0.387851D+01 -0.651984D+01
      6  -0.446919D+01  0.912545D+01 -0.692162D+01  0.380827D+00 -0.276806D+01
                31            32            33            34            35 
      1   0.122304D+01  0.129775D+02  0.188711D+01 -0.100714D+02  0.273765D+01
      2  -0.422971D+01 -0.192956D+02  0.105054D+02 -0.509342D+01  0.436070D+01
      3   0.300668D+01  0.631805D+01 -0.123925D+02  0.151648D+02 -0.709835D+01
      4   0.225775D+01  0.375252D+00  0.148246D+01 -0.172550D+01 -0.117255D+00
      5  -0.508246D+01  0.601229D+01  0.213658D+01 -0.243621D+01 -0.173157D+00
      6   0.252540D+01  0.183556D+02 -0.146707D+01 -0.404622D+01  0.149771D+01
                36            37            38            39            40 
      1  -0.238250D+01 -0.340889D+02  0.232602D+01  0.802623D+00  0.982121D+01
      2   0.409289D+01  0.171800D+02 -0.274096D+01  0.270968D+00 -0.310494D+01
      3  -0.171038D+01  0.169089D+02  0.414937D+00 -0.107359D+01 -0.671627D+01
      4  -0.321184D+01 -0.204860D+01 -0.990798D+01  0.147976D+01 -0.327446D+01
      5   0.914658D+01  0.288679D+00  0.212607D+01 -0.850306D+01  0.308385D+01
      6  -0.673208D+01  0.413880D+01 -0.129438D+01 -0.742948D+00 -0.191172D+01
                41            42            43            44            45 
      1   0.332886D+01 -0.787032D+00  0.261544D+01 -0.219479D+01  0.750521D+01
      2  -0.420811D+00 -0.245128D+01  0.166672D+00  0.160130D+01 -0.239045D+01
      3  -0.290805D+01  0.323832D+01 -0.278211D+01  0.593496D+00 -0.511477D+01
      4   0.828475D+00 -0.212587D+01  0.141679D+01 -0.438710D-01 -0.781573D+00
      5  -0.257998D+01 -0.248628D+01 -0.350768D+01 -0.194432D+01 -0.271299D+01
      6  -0.534784D+01 -0.784719D+01  0.519816D+00 -0.550058D+01 -0.100691D+01
                46            47            48            49            50 
      1  -0.153747D+02  0.663440D+01 -0.261204D+01  0.118636D+02 -0.574141D+01
      2   0.233711D+01  0.247841D+00 -0.121714D+00 -0.517881D+01 -0.431654D+01
      3   0.130376D+02 -0.688224D+01  0.273375D+01 -0.668480D+01  0.100580D+02
      4   0.106114D+02 -0.140957D+01 -0.181058D+01 -0.985296D-01  0.560407D+00
      5  -0.300960D+01 -0.483930D+01  0.412968D+01 -0.418226D+01 -0.451224D+01
      6  -0.795106D+01  0.720279D+00  0.118008D+01  0.843543D+00 -0.605306D+01
                51            52            53            54            55 
      1   0.498039D+01 -0.659000D+01  0.760749D+01 -0.185317D+01  0.199363D+02
      2  -0.868818D+01  0.140320D+01 -0.119763D+02 -0.217873D+00 -0.120666D+02
      3   0.370778D+01  0.518681D+01  0.436878D+01  0.207104D+01 -0.786968D+01
      4  -0.638838D+01  0.113334D+01 -0.899320D+01  0.127162D+01  0.248480D+02
      5   0.321678D+00  0.200251D+01 -0.129526D+01  0.571443D+01  0.280046D+02
      6   0.552176D+01  0.392148D+00  0.203019D+01  0.300914D+01  0.166297D+02
                56            57            58            59            60 
      1   0.326913D+01  0.404510D+01  0.392867D+01  0.714643D+00 -0.143415D+01
      2   0.111102D+01 -0.633245D+01  0.100932D+01  0.411353D+01 -0.456023D+00
      3  -0.438015D+01  0.228736D+01 -0.493798D+01 -0.482817D+01  0.189017D+01
      4   0.180908D+02  0.136455D+02  0.153160D+02  0.136596D+02  0.804535D+01
      5   0.147597D+02  0.209804D+02  0.108884D+02  0.103596D+02  0.847344D+01
      6   0.142207D+02  0.125069D+02  0.101089D+02  0.111471D+02  0.103795D+02
                61            62            63            64            65 
      1   0.304718D+01 -0.116054D+01 -0.866880D+00 -0.735906D+01  0.893817D+01
      2  -0.442349D+01 -0.198574D+01 -0.511724D+01 -0.220236D+01 -0.386485D+01
      3   0.137632D+01  0.314628D+01  0.598412D+01  0.956142D+01 -0.507332D+01
      4   0.757350D+01  0.577547D+01  0.770820D+01 -0.288309D+01  0.260243D+01
      5   0.139715D+02  0.751403D+01  0.122772D+02 -0.522875D+01  0.339460D+01
      6   0.720274D+01  0.850192D+01  0.106523D+02  0.955886D+01 -0.892789D+01
                66            67            68            69            70 
      1   0.167570D+02  0.410640D+01 -0.801323D+01 -0.779918D+01  0.103757D+02
      2   0.400173D+01 -0.256168D+01  0.323844D+01  0.186527D+01  0.191716D+01
      3  -0.207588D+02 -0.154472D+01  0.477479D+01  0.593390D+01 -0.122928D+02
      4   0.476778D+01  0.295780D+01 -0.962248D+00  0.531187D-02  0.418268D+01
      5   0.682644D+01  0.266678D+01 -0.109785D+01  0.384926D+00  0.676556D+01
      6  -0.142032D+02 -0.407818D+01  0.809191D+01  0.130171D+02 -0.678091D+01
                71            72            73            74            75 
      1  -0.105981D+02 -0.275165D+02 -0.308006D+01  0.110593D+02  0.113819D+01
      2   0.617757D+00 -0.955119D+01  0.134472D+02 -0.193815D+02 -0.813255D+00
      3   0.998032D+01  0.370677D+02 -0.103672D+02  0.832229D+01 -0.324934D+00
      4   0.484719D+00 -0.154497D+01 -0.150592D+02  0.109378D+02 -0.120097D+01
      5   0.879453D+00 -0.127235D+01 -0.218667D+01  0.663710D+00  0.110793D+01
      6   0.147848D+02  0.238240D+02 -0.391686D+00 -0.190115D+01 -0.484954D+01
                76            77            78            79            80 
      1   0.568409D+01 -0.100160D+02 -0.835588D-01  0.583001D+00  0.588033D-01
      2  -0.116096D+02  0.200295D+02 -0.161041D+01 -0.113304D+01 -0.105307D+01
      3   0.592555D+01 -0.100135D+02  0.169397D+01  0.550042D+00  0.994271D+00
      4   0.991887D+01 -0.765916D+01 -0.674728D+00 -0.191804D+00 -0.126478D+01
      5   0.408553D+00 -0.151478D+01 -0.435961D+00  0.259275D+01 -0.626332D+00
      6  -0.140106D+01  0.357346D+00  0.390240D+01 -0.329106D+01  0.524919D+01
                81            82            83            84            85 
      1  -0.211501D+01  0.395468D+01 -0.428712D+01 -0.254326D+00 -0.134847D+01
      2   0.133486D+01  0.765663D+01  0.159663D+02 -0.349923D+01  0.948129D+01
      3   0.780147D+00 -0.116113D+02 -0.116792D+02  0.375355D+01 -0.813283D+01
      4  -0.147589D+01  0.143645D+02  0.187244D+02 -0.593289D+01  0.146492D+02
      5   0.375369D+00 -0.424237D+01 -0.366097D+01  0.527347D+01 -0.259531D+01
      6   0.121753D+01 -0.427965D+01 -0.520157D+01  0.699658D+01 -0.362627D+01
                86            87            88            89            90 
      1  -0.115881D+02  0.334570D+01  0.303660D-01  0.571752D+01 -0.305739D+01
      2   0.297312D+02 -0.809783D+01 -0.335858D+01 -0.119491D+02  0.407540D+01
      3  -0.181431D+02  0.475213D+01  0.332821D+01  0.623157D+01 -0.101801D+01
      4   0.209761D+02 -0.654553D+01 -0.611870D+01 -0.851621D+01  0.670450D+01
      5  -0.514607D+01  0.393241D+01  0.440881D+01  0.430636D+01 -0.470017D+01
      6  -0.878778D+01  0.742438D+01  0.515687D+01  0.930916D+01 -0.739085D+01
                91            92            93            94            95 
      1  -0.181616D+01 -0.246319D+02  0.675364D+01 -0.284811D+02  0.859832D+01
      2   0.752001D+01  0.113319D+02 -0.232496D+01  0.137921D+02 -0.771904D+01
      3  -0.570385D+01  0.132999D+02 -0.442868D+01  0.146890D+02 -0.879278D+00
      4  -0.250140D+02  0.804410D+01 -0.219607D+01  0.609185D+01  0.111025D+02
      5   0.397410D+01 -0.629993D+00  0.144299D+02 -0.176190D+01  0.883076D+01
      6   0.299929D+01 -0.366958D+00 -0.249652D+01 -0.236730D+00 -0.199713D+01
                96            97            98            99           100 
      1  -0.184166D+01  0.675545D+01  0.420639D+00  0.165892D+02  0.989590D+01
      2  -0.182407D+01 -0.154298D+01 -0.490314D+01 -0.642581D+01 -0.119649D+02
      3   0.366573D+01 -0.521247D+01  0.448250D+01 -0.101634D+02  0.206898D+01
      4   0.113403D+02 -0.333762D+01  0.115005D+02 -0.635259D+01 -0.105605D+02
      5  -0.557417D+01  0.159873D+02 -0.417630D+01 -0.154900D+02  0.203942D+02
      6  -0.282013D+00 -0.286415D+01  0.137652D+01  0.353751D+01 -0.833747D+01
               101           102           103           104           105 
      1  -0.287895D+01  0.191334D+01 -0.249516D+01 -0.330899D+01  0.397751D+01
      2   0.341809D+01 -0.112132D+02  0.320739D+01 -0.645444D+00  0.388638D+01
      3  -0.539148D+00  0.929985D+01 -0.712226D+00  0.395444D+01 -0.786390D+01
      4   0.928597D+01 -0.786446D+01  0.943679D+01 -0.946493D+01  0.958473D+01
      5  -0.984235D+01  0.233695D+02 -0.102704D+02  0.112665D+02 -0.126978D+02
      6   0.663852D+01 -0.825174D+01  0.712526D+01 -0.108249D+02  0.144045D+02
               106           107           108           109           110 
      1  -0.172246D+00  0.344868D+01 -0.803805D+01 -0.976052D-01 -0.904454D+00
      2  -0.958286D+01  0.409010D+01 -0.168543D+02  0.252248D+01  0.229736D+01
      3   0.975511D+01 -0.753878D+01  0.248924D+02 -0.242488D+01 -0.139291D+01
      4  -0.616333D+01  0.740917D+01 -0.991376D+01  0.581468D+00  0.535741D+01
      5   0.201582D+02 -0.106191D+02  0.279996D+02 -0.810453D+00 -0.213295D+01
      6  -0.718053D+01  0.117166D+02 -0.145364D+02 -0.260232D+01 -0.126239D+01
               111           112           113           114           115 
      1   0.101623D+01 -0.898026D+00 -0.251181D+02  0.989878D+01  0.251291D+01
      2   0.310866D+00  0.231912D+01  0.351320D+02 -0.731907D+01  0.126287D+00
      3  -0.132709D+01 -0.142109D+01 -0.100139D+02 -0.257971D+01 -0.263920D+01
      4  -0.116912D+01  0.606325D+01  0.157098D+01 -0.124046D+01 -0.210563D+00
      5   0.301877D+01 -0.365348D+01 -0.416449D+01  0.108110D+01  0.269474D+01
      6   0.103270D+01 -0.389997D+01 -0.268228D+02  0.133386D+02  0.152774D+01
               116           117           118           119           120 
      1   0.524830D+01 -0.513606D+01  0.215504D+01 -0.117880D+01  0.493602D+01
      2  -0.234433D+01  0.283015D+01 -0.962663D+01  0.161771D+01  0.756678D+01
      3  -0.290396D+01  0.230591D+01  0.747159D+01 -0.438906D+00 -0.125028D+02
      4   0.155753D+00  0.334398D+00  0.159949D+01  0.148750D+01 -0.149578D+01
      5   0.662629D+00 -0.173461D+01 -0.120001D+02  0.111859D+01  0.127969D+02
      6   0.929663D+01 -0.594273D+01  0.804356D-01 -0.279865D+01  0.213903D+01
               121           122           123           124           125 
      1  -0.216004D+00 -0.367792D+01 -0.356233D+01  0.310145D+01  0.202448D-01
      2   0.285404D+01  0.120303D+01 -0.492669D+01  0.751820D+01 -0.270509D+01
      3  -0.263804D+01  0.247489D+01  0.848903D+01 -0.106197D+02  0.268485D+01
      4   0.117941D+01 -0.692970D+00 -0.105587D+01 -0.172618D+01 -0.125218D+01
      5   0.446210D+01 -0.270691D+01 -0.402322D+01  0.119257D+02 -0.278593D+00
      6  -0.212254D+01  0.265358D+00  0.419587D+01  0.210772D+01  0.491949D+01
               126           127           128           129           130 
      1  -0.130066D+02  0.806489D+01  0.551942D+00  0.106907D+01  0.422393D+01
      2  -0.132565D+02 -0.297861D+01  0.169840D+00 -0.533634D+00 -0.204444D+01
      3   0.262631D+02 -0.508628D+01 -0.721782D+00 -0.535438D+00 -0.217950D+01
      4   0.176393D+01  0.170388D+01  0.293463D+01  0.188291D+01  0.455400D+01
      5  -0.133288D+02  0.211606D+01  0.147661D+01  0.280049D+01  0.217872D+01
      6  -0.207141D+01  0.251696D+01  0.110802D+01  0.175627D+01  0.112918D+01
               131           132           133           134           135 
      1  -0.874379D+01 -0.491904D+01  0.226415D+01 -0.416835D+01 -0.802857D+01
      2   0.102450D+02  0.414293D+01 -0.186388D+01  0.256632D+01  0.125352D+01
      3  -0.150117D+01  0.776105D+00 -0.400265D+00  0.160203D+01  0.677505D+01
      4   0.265560D+01  0.240489D+01  0.203460D+01  0.200832D+01  0.229964D+01
      5   0.237587D+01  0.256132D+01  0.375192D+01  0.263571D+01  0.414339D+01
      6   0.883361D+01  0.823819D+01  0.123958D+01  0.734850D+01  0.836024D+01
               136           137           138           139           140 
      1   0.218547D+02 -0.820451D+01  0.460827D+01 -0.223591D+02 -0.365622D+01
      2  -0.118928D+02  0.252845D+01 -0.224397D+01  0.120319D+02  0.525181D+01
      3  -0.996195D+01  0.567607D+01 -0.236430D+01  0.103272D+02 -0.159559D+01
      4  -0.636913D+01  0.174847D+02 -0.143793D+01  0.116296D+02 -0.431147D+01
      5   0.293815D+01 -0.124930D+01  0.151467D+02 -0.206061D+01  0.131251D+01
      6  -0.707489D+00 -0.615559D+00  0.699301D+00 -0.118191D+00  0.273045D+00
               141           142           143           144           145 
      1   0.725193D-01  0.324070D+01  0.674150D+00 -0.561493D+01  0.112767D+02
      2   0.563281D+00 -0.812131D+00 -0.204181D+00  0.112862D+01 -0.187150D+01
      3  -0.635800D+00 -0.242857D+01 -0.469969D+00  0.448632D+01 -0.940521D+01
      4   0.142802D+01 -0.118178D+01 -0.421810D+00 -0.315249D+01 -0.687183D+01
      5   0.816127D+00  0.706812D+00 -0.176520D+01  0.540460D+00  0.442881D+01
      6   0.544266D+01  0.597975D+00  0.334952D+01 -0.866855D+00  0.246161D+02
               146           147           148           149           150 
      1  -0.618789D+01  0.465837D+01 -0.620728D+01  0.936933D+01  0.619586D+01
      2   0.305265D+01 -0.305550D+01  0.340244D+01  0.880411D+01  0.747726D+01
      3   0.313524D+01 -0.160288D+01  0.280484D+01 -0.181734D+02 -0.136731D+02
      4  -0.845270D+01  0.986506D+01 -0.838846D+01  0.169980D+01  0.552691D+01
      5   0.205154D+02 -0.160404D+02  0.201822D+02  0.423564D+01  0.156062D+01
      6  -0.153551D+01 -0.229437D+00 -0.131942D+01 -0.378530D+01 -0.203731D+02
               151           152           153           154           155 
      1   0.424596D+01  0.266443D+01 -0.583528D+01 -0.263867D+01  0.284778D+02
      2  -0.184353D+01  0.843956D+01 -0.480120D+01  0.208284D+01 -0.143790D+02
      3  -0.240243D+01 -0.111040D+02  0.106365D+02  0.555838D+00 -0.140988D+02
      4   0.567757D+01  0.500153D+01  0.106899D+01  0.287841D+02 -0.451742D+01
      5  -0.129536D+02  0.162768D+01 -0.265720D+01 -0.158202D+02  0.455636D+01
      6  -0.221061D+00 -0.150757D+02 -0.104828D+02 -0.843575D+00 -0.350104D+00
               156           157           158           159           160 
      1  -0.173191D+02  0.334362D+02 -0.758202D+01  0.788642D+01 -0.219285D+02
      2   0.564847D+01 -0.183622D+02  0.582875D+00 -0.413037D+01  0.499137D+01
      3   0.116706D+02 -0.150739D+02  0.699915D+01 -0.375605D+01  0.169371D+02
      4   0.478910D+01 -0.865109D+01 -0.256948D+02 -0.142392D+02  0.735583D+01
      5  -0.206971D+02  0.761152D+01 -0.135268D+02  0.580625D+01 -0.307236D+02
      6  -0.679305D+00 -0.968882D+00  0.893954D+00  0.125462D+01 -0.179700D+00
               161           162           163           164           165 
      1   0.721666D+01 -0.226506D+02  0.896915D+01  0.243188D+02 -0.791245D+01
      2  -0.385977D+01  0.188026D+02 -0.215926D+02 -0.118169D+02 -0.380070D+01
      3  -0.335690D+01  0.384797D+01  0.126235D+02 -0.125019D+02  0.117131D+02
      4  -0.146424D+02  0.477518D+01  0.210600D+02 -0.199401D+02  0.959641D+01
      5   0.496781D+01  0.316708D+02 -0.835930D+01  0.232234D+01 -0.875059D+01
      6   0.704182D+00  0.190194D+01  0.408777D+01 -0.655141D+01  0.812480D+01
               166           167           168           169           170 
      1   0.237868D+02 -0.884276D+01 -0.291609D+00 -0.103101D+02  0.190108D+01
      2  -0.115185D+02  0.729811D+01  0.942044D+01 -0.476094D+01  0.122946D+02
      3  -0.122683D+02  0.154465D+01 -0.912883D+01  0.150711D+02 -0.141957D+02
      4  -0.171101D+02 -0.511348D+01 -0.132504D+02  0.121103D+02 -0.159956D+02
      5   0.189447D+01 -0.108714D+02  0.241863D+01 -0.123991D+02  0.726976D+01
      6  -0.540300D+01  0.118788D+02 -0.355211D+00  0.108576D+02 -0.431664D+01
               171           172           173           174           175 
      1  -0.369719D+01 -0.527092D+01  0.787142D+01 -0.122518D+02  0.594370D+01
      2   0.109816D+02 -0.781148D+00 -0.424259D+01 -0.359458D+01 -0.346780D+01
      3  -0.728445D+01  0.605207D+01 -0.362882D+01  0.158464D+02 -0.247591D+01
      4   0.125757D+02 -0.689339D+01  0.529276D+01 -0.444674D+01  0.608572D+01
      5   0.242667D+02  0.176309D+02 -0.961313D+01  0.116383D+02 -0.107717D+02
      6  -0.187773D+02 -0.137017D+02  0.127388D+02 -0.114180D+02  0.950071D+01
               176           177           178           179           180 
      1  -0.104517D+02  0.862733D+01 -0.556884D+01  0.479929D+01 -0.877068D+01
      2   0.594288D+01 -0.594083D+00 -0.225973D+01 -0.264142D+00 -0.323863D+01
      3   0.450880D+01 -0.803324D+01  0.782857D+01 -0.453514D+01  0.120093D+02
      4  -0.367468D+01  0.118747D+01 -0.244872D+01  0.103747D+01 -0.216236D+01
      5   0.512335D+01 -0.471884D+01  0.824709D+01 -0.353102D+01  0.687629D+01
      6  -0.132830D+02  0.141353D+02 -0.611478D+01  0.893609D+01 -0.809143D+01
               181           182           183           184           185 
      1   0.749792D+01 -0.902936D+00  0.500365D+01  0.104118D+01 -0.526661D+01
      2  -0.720143D+01  0.590561D+00  0.736276D+01 -0.307168D+00  0.305241D+01
      3  -0.296487D+00  0.312374D+00 -0.123664D+02 -0.734007D+00  0.221420D+01
      4   0.132291D+02  0.109337D+02 -0.818148D+01  0.102033D+02  0.954267D+01
      5  -0.230613D+02 -0.130151D+02  0.191203D+02 -0.132222D+02 -0.988088D+01
      6  -0.128025D+02 -0.118512D+02  0.110894D+02 -0.871881D+01 -0.125578D+02
               186           187           188           189           190 
      1   0.557634D+01  0.156621D+01  0.276968D+01 -0.426062D+01 -0.190383D+01
      2   0.109749D+01  0.457325D+01  0.820772D+00 -0.576197D+01 -0.146582D+01
      3  -0.667382D+01 -0.613946D+01 -0.359045D+01  0.100226D+02  0.336965D+01
      4  -0.652436D+01 -0.440310D+01 -0.404304D+01  0.514882D+01 -0.108503D+00
      5   0.935298D+01  0.130464D+02  0.619872D+01 -0.119579D+02 -0.761675D+00
      6   0.134365D+02  0.630583D+01  0.895482D+01 -0.781768D+01  0.378823D+00
               191           192           193           194           195 
      1  -0.507680D+00 -0.219894D+01 -0.118544D+01 -0.865273D+01 -0.148277D+02
      2  -0.407969D+00  0.315052D+00 -0.272318D+00 -0.333378D+01 -0.116246D+02
      3   0.915649D+00  0.188389D+01  0.145775D+01  0.119865D+02  0.264523D+02
      4   0.288567D+01 -0.153181D+00  0.284104D+01 -0.576177D+01 -0.298175D+01
      5   0.114790D+01  0.638311D+01  0.433144D+01 -0.265599D+01 -0.468022D+01
      6   0.891086D+00  0.590086D+00  0.617009D+00  0.203851D+02  0.154378D+02
               196           197           198           199           200 
      1  -0.153057D+01 -0.674637D+01 -0.138044D+02  0.381956D+01  0.495859D+01
      2   0.394533D+00 -0.692066D+01 -0.127642D+02 -0.257157D-01 -0.296218D+00
      3   0.113603D+01  0.136670D+02  0.265686D+02 -0.379384D+01 -0.466237D+01
      4   0.705602D-01 -0.261368D+01 -0.288314D+01  0.611448D+01  0.104568D+02
      5   0.609319D+01 -0.250316D+01 -0.460246D+01  0.337148D+01  0.669298D+00
      6   0.222966D+00  0.129232D+02  0.117310D+02  0.674373D+00 -0.254442D-01
               201           202           203           204           205 
      1   0.390888D+01  0.167394D+02  0.384411D+01 -0.164819D+01  0.838334D+01
      2  -0.158993D+01 -0.566479D+01  0.921183D+01  0.206553D+01 -0.331171D+01
      3  -0.231895D+01 -0.110746D+02 -0.130559D+02 -0.417343D+00 -0.507163D+01
      4   0.117342D+01  0.179279D+02  0.413470D+02  0.696751D+01  0.212906D+01
      5   0.341151D+01 -0.323326D+00  0.675086D+01  0.791602D+01  0.570153D+01
      6   0.562546D+00 -0.517853D+00 -0.275949D+00  0.393572D+01  0.449832D+00
               206           207           208           209           210 
      1  -0.387614D+00  0.165703D+01  0.626268D+02 -0.151484D+02  0.166850D+02
      2   0.124370D+01 -0.153009D+01 -0.311589D+02  0.684720D+01 -0.872544D+01
      3  -0.856089D+00 -0.126940D+00 -0.314679D+02  0.830118D+01 -0.795959D+01
      4   0.822565D+01  0.474857D+01 -0.162156D+02  0.126554D+02 -0.453010D+01
      5   0.489636D+01  0.908346D+00  0.178378D+02 -0.462603D+01  0.153580D+02
      6   0.308585D+01  0.137093D+01 -0.370938D+00  0.366970D+00 -0.293523D+00
               211           212           213           214           215 
      1  -0.310722D+02  0.114374D+02 -0.649948D+01  0.323805D+02 -0.652340D+01
      2   0.145964D+02 -0.289355D+01  0.329872D+01 -0.168277D+02  0.321902D+01
      3   0.164758D+02 -0.854387D+01  0.320076D+01 -0.155528D+02  0.330437D+01
      4   0.171152D+02 -0.115577D+02  0.685713D+01 -0.811334D+01  0.982997D+01
      5  -0.806558D+01  0.667822D+01 -0.900214D+01  0.214448D+02 -0.606240D+01
      6   0.126608D+01 -0.122964D+01  0.182805D+01 -0.120049D+01  0.197854D+01
               216           217           218           219           220 
      1   0.148336D+02  0.176602D+02 -0.201202D+01 -0.103732D+02 -0.527053D+01
      2  -0.105234D+02 -0.122143D+02  0.105710D+01  0.827131D+01  0.323837D+01
      3  -0.431027D+01 -0.544587D+01  0.954920D+00  0.210188D+01  0.203217D+01
      4  -0.560038D+01 -0.136511D+01  0.415290D+01 -0.141486D+01  0.631310D+01
      5   0.123834D+02 -0.142716D+02 -0.983725D+00  0.186762D+02  0.274802D+00
      6  -0.169579D+01 -0.652509D+00 -0.111574D+01  0.934286D+00 -0.199474D+01
               221           222           223           224           225 
      1   0.217454D+01 -0.406477D+00 -0.239577D+02 -0.177554D+01  0.124151D+02
      2  -0.122414D+01 -0.103726D+00  0.185078D+02  0.104258D+01 -0.212641D+02
      3  -0.950396D+00  0.510202D+00  0.544991D+01  0.732960D+00  0.884906D+01
      4   0.175301D+01 -0.467563D+01 -0.236295D+01 -0.791105D+01  0.499134D-01
      5  -0.423198D+01 -0.222400D+01  0.315018D+02 -0.118365D+00 -0.473507D+02
      6   0.327659D+00  0.397733D+01  0.955680D+00  0.453699D+01 -0.269691D+01
               226           227           228           229           230 
      1  -0.143495D+02 -0.179720D+02  0.340640D-01 -0.132433D+02 -0.175523D+02
      2   0.142685D+02  0.220001D+02  0.697871D+00  0.139584D+02  0.248036D+02
      3   0.810280D-01 -0.402815D+01 -0.731935D+00 -0.715074D+00 -0.725134D+01
      4   0.916948D+01  0.859040D+00 -0.256619D+01  0.671814D+01 -0.781537D+00
      5   0.505808D+01  0.971340D+00 -0.630642D+00  0.213611D+01  0.251420D+01
      6  -0.390741D+00  0.407917D+01  0.442002D+01  0.170485D+01  0.194813D+01
               231           232           233           234           235 
      1  -0.328773D+00  0.218436D+01  0.449997D+00 -0.339127D+01  0.394732D+01
      2  -0.931080D+00 -0.163476D-01 -0.320480D+01  0.159553D+01 -0.220899D+01
      3   0.125985D+01 -0.216801D+01  0.275481D+01  0.179574D+01 -0.173834D+01
      4   0.742946D+00 -0.248363D+01  0.306518D+01 -0.411246D+00 -0.717140D+01
      5  -0.102434D+01  0.126777D+01 -0.146131D+01 -0.167802D+01 -0.772514D+01
      6   0.434554D+01  0.167454D+01  0.399452D+01  0.137769D+01  0.392817D+01
               236           237           238           239           240 
      1  -0.263355D+01 -0.338836D+01 -0.621047D+00 -0.214695D+01 -0.304010D+01
      2   0.229808D+00  0.479764D+01 -0.770414D+00  0.144887D+01  0.327285D+01
      3   0.240374D+01 -0.140928D+01  0.139146D+01  0.698072D+00 -0.232750D+00
      4   0.745841D+01  0.480986D+01  0.432638D+01 -0.253584D+01 -0.358455D+01
      5   0.316898D+01  0.117120D+02  0.406954D+00 -0.340142D+01 -0.248466D+01
      6  -0.216511D+01 -0.664795D+01 -0.131790D+01  0.372455D+01  0.772965D+01
               241           242           243           244           245 
      1  -0.486768D+01 -0.560484D+01 -0.889461D+01  0.240944D+02 -0.110540D+02
      2   0.616952D+01  0.505528D+01 -0.117277D+02  0.543382D+00 -0.892049D+01
      3  -0.130183D+01  0.549558D+00  0.206223D+02 -0.246378D+02  0.199745D+02
      4   0.869776D+01 -0.109218D+02 -0.131091D+02 -0.344946D+02  0.320168D+02
      5   0.156669D+02 -0.106232D+02 -0.334587D+02  0.517446D+01 -0.301775D+01
      6  -0.943425D+01  0.147991D+02  0.289039D+02 -0.487910D+01  0.340301D+01
               246           247           248           249           250 
      1   0.563920D+01 -0.876896D+01  0.244056D+01 -0.652595D+00  0.102403D+02
      2   0.728989D+00 -0.655148D+01  0.164805D+02 -0.419449D+01  0.708596D+00
      3  -0.636819D+01  0.153204D+02 -0.189211D+02  0.484708D+01 -0.109489D+02
      4  -0.782879D+01  0.242793D+02 -0.273948D+02  0.757334D+01 -0.161206D+02
      5   0.843602D+01 -0.219907D+01  0.474842D+01 -0.418602D+01  0.879911D+01
      6  -0.743632D+01  0.331887D+01 -0.474129D+01  0.559884D+01 -0.735206D+01
               251           252           253           254           255 
      1  -0.195178D+01  0.318791D+01 -0.714828D+01  0.127824D+02 -0.229110D+01
      2  -0.892780D+01 -0.181409D-01  0.322163D+01 -0.281652D+01  0.146465D+01
      3   0.108796D+02 -0.316977D+01  0.392665D+01 -0.996591D+01  0.826442D+00
      4   0.175749D+02 -0.101209D+02  0.158662D+02 -0.157812D+02 -0.743583D+00
      5  -0.697652D+01  0.537062D+01 -0.200910D+01 -0.538934D+00 -0.179437D+02
      6   0.757926D+01 -0.525202D+01  0.396475D+00 -0.332413D+00  0.219686D+01
               256           257           258           259           260 
      1  -0.600825D+01 -0.145564D+01 -0.205241D+01 -0.511060D+00 -0.604216D+00
      2   0.532462D+00 -0.109153D+02 -0.344692D-01  0.768761D-01  0.184167D+01
      3   0.547579D+01  0.123710D+02  0.208688D+01  0.434184D+00 -0.123745D+01
      4  -0.297337D+02 -0.418719D+02  0.232188D+01  0.258916D+01  0.382914D+01
      5   0.138066D+01  0.201905D+01 -0.109046D+02  0.757502D+01 -0.476076D+01
      6  -0.916344D+00  0.664424D+00 -0.919532D+01  0.987871D+00  0.448744D+01
               261           262           263           264           265 
      1  -0.105714D+01 -0.239570D+02 -0.344064D+02  0.350192D+01 -0.511616D+02
      2  -0.654695D+01  0.164853D+02  0.155560D+02 -0.225951D+01  0.243121D+02
      3   0.760409D+01  0.747166D+01  0.188504D+02 -0.124241D+01  0.268494D+02
      4  -0.441730D+01 -0.383804D+02  0.715563D+01  0.127734D+01 -0.571542D+01
      5   0.339308D+01  0.353361D+01  0.115850D+01  0.654832D+01  0.131353D+01
      6   0.202843D+01 -0.104096D+01 -0.494755D+00 -0.242302D+01 -0.568404D-01
               266           267           268           269           270 
      1  -0.423277D+01  0.211238D+01  0.558602D+01  0.195346D+01  0.468584D+01
      2   0.363672D+01 -0.342076D+01 -0.190040D+01 -0.395671D+01 -0.561365D+01
      3   0.596048D+00  0.130838D+01 -0.368562D+01  0.200325D+01  0.927808D+00
      4   0.188099D+02  0.335989D+01  0.154587D+01  0.427495D+01  0.346388D+02
      5   0.372586D+01  0.306382D+02 -0.770156D+01  0.367727D+02 -0.837572D+01
      6  -0.188123D+01 -0.973009D+01  0.561159D+01 -0.138788D+02  0.283746D+01
               271           272           273           274           275 
      1   0.169944D+02  0.108042D+02 -0.164859D+01  0.427418D+02 -0.104007D+02
      2  -0.575402D+01 -0.342908D+01  0.542874D+00 -0.135407D+02  0.327546D+02
      3  -0.112404D+02 -0.737509D+01  0.110571D+01 -0.292011D+02 -0.223539D+02
      4   0.175113D+02  0.214598D+02 -0.531743D+00  0.385420D+02  0.746339D+02
      5  -0.115913D+01 -0.501160D+00  0.101918D+02 -0.293246D+00 -0.294397D+01
      6  -0.320449D+00  0.187965D+00  0.396960D+00  0.940848D+00 -0.313320D+00
               276           277           278           279           280 
      1   0.187515D+01 -0.369452D+01  0.100531D+01  0.740751D-01  0.746154D+01
      2  -0.956424D+00  0.183736D+01 -0.143359D+01  0.848146D+00 -0.445555D+01
      3  -0.918728D+00  0.185716D+01  0.428279D+00 -0.922221D+00 -0.300599D+01
      4  -0.301498D+01 -0.164071D+01 -0.421408D+01  0.169050D+02 -0.164974D+01
      5   0.168030D+02  0.137353D+02  0.159067D+02 -0.437140D+01  0.641878D+01
      6   0.149846D+02  0.377661D+01  0.114273D+02 -0.206902D+01 -0.276463D+01
               281           282           283           284           285 
      1  -0.215956D+01  0.709751D+01 -0.896626D+01  0.605999D+00  0.163416D+01
      2   0.114522D+01 -0.322521D+01  0.339627D+01  0.451629D+01 -0.190071D+01
      3   0.101434D+01 -0.387230D+01  0.556999D+01 -0.512228D+01  0.266541D+00
      4   0.233479D+01 -0.303930D+01  0.145966D+02 -0.276763D+02  0.144680D+02
      5  -0.248423D+01  0.419736D+01 -0.656265D+01  0.149356D+02 -0.216543D+02
      6   0.113320D+00 -0.150370D+00  0.304980D+01 -0.878961D+01  0.104376D+02
               286           287           288           289           290 
      1   0.192242D+02 -0.356462D+00 -0.168623D+01  0.965144D+02  0.182822D+02
      2  -0.108500D+02 -0.860263D+00 -0.500063D+01 -0.513174D+02 -0.108279D+02
      3  -0.837422D+01  0.121672D+01  0.668685D+01 -0.451970D+02 -0.745429D+01
      4  -0.126471D+02  0.215301D+02 -0.224413D+02  0.131653D+02  0.149830D+02
      5   0.176383D+02 -0.239338D+02  0.401684D+02 -0.139164D+01 -0.314360D+00
      6  -0.542177D+01  0.123184D+02 -0.141668D+02  0.824189D+00  0.374091D+00
               291           292           293           294           295 
      1  -0.226028D+01  0.420148D+02  0.141742D+02 -0.808772D+00 -0.528346D+01
      2   0.115436D+01 -0.224011D+02 -0.670803D+01  0.626642D+00  0.276703D+01
      3   0.110592D+01 -0.196137D+02 -0.746620D+01  0.182130D+00  0.251643D+01
      4  -0.351002D+00  0.161408D+02  0.133500D+02 -0.954917D+00 -0.342418D+00
      5   0.137797D+02 -0.461987D+00 -0.868738D+00  0.460527D+01  0.134873D+02
      6  -0.789764D+00  0.405829D+00  0.396619D+00  0.180563D+01 -0.198974D+00
               296           297           298           299           300 
      1  -0.712567D+00  0.905311D+01  0.622509D+01 -0.298486D+01 -0.650123D+01
      2   0.762300D+00 -0.561244D+01 -0.280884D+01  0.172324D+01  0.292679D+01
      3  -0.497334D-01 -0.344067D+01 -0.341626D+01  0.126162D+01  0.357444D+01
      4  -0.153534D+01 -0.453614D+00 -0.176074D+01  0.183227D+01  0.226038D+01
      5  -0.123526D+00 -0.819567D+00 -0.540309D+01  0.156121D+01  0.201024D+01
      6   0.261963D+01 -0.176417D+00  0.279736D+01  0.360326D+00  0.341792D+00
               301           302           303           304           305 
      1  -0.112189D+02 -0.575253D+00 -0.283226D+01 -0.175842D+02 -0.752445D+00
      2   0.367696D+01  0.909946D+01  0.462826D+01  0.845061D+01  0.415982D+01
      3   0.754197D+01 -0.852421D+01 -0.179600D+01  0.913357D+01 -0.340738D+01
      4   0.164269D+02 -0.355102D+02 -0.158664D+02  0.114959D+02 -0.234942D+02
      5   0.509329D+01 -0.167379D+02 -0.216558D+02  0.132409D+02 -0.231898D+02
      6  -0.286025D+01  0.971204D+01  0.997684D+01 -0.465050D+01  0.118229D+02
               306 
      1  -0.204396D+01
      2  -0.666960D+00
      3   0.271092D+01
      4  -0.216200D+02
      5  -0.286937D+02
      6   0.113891D+02
 Leave Link  716 at Sat Jul 17 01:27:32 2021, MaxMem=  5637144576 cpu:               2.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.167594D+03 -0.211197D+01 -0.774082D+00
      2  -0.211197D+01  0.140485D+03 -0.456713D+00
      3  -0.774082D+00 -0.456713D+00  0.134301D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.273591D+00  0.123141D+01  0.807495D+01
      2  -0.897198D+00 -0.458085D+01 -0.494501D+02
      3  -0.405852D+01  0.223530D+02  0.372475D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.378341D+01  0.400837D+01 -0.625667D+00
      2   0.720108D+01  0.488326D+01 -0.118457D+02
      3  -0.341767D+01 -0.889163D+01  0.124714D+02
      4  -0.106324D+02 -0.507559D+02 -0.137277D+02
      5   0.808840D+01 -0.128093D+02 -0.103574D+03
      6  -0.574345D+01  0.192322D+01 -0.331744D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   102 ND12= 1 LenFil=    3675:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.274493D+01  0.290315D+01  0.332124D+01  0.230470D+01  0.725795D+00
      2   0.290315D+01  0.867404D+00  0.252853D+00  0.725795D+00 -0.277408D+01
      3   0.332124D+01  0.252853D+00 -0.338998D+01  0.613550D+00  0.899273D-01
                 6             7             8             9            10 
      1   0.613550D+00  0.187330D+01  0.457344D+00 -0.289474D+01 -0.246308D+01
      2   0.899273D-01  0.457344D+00  0.600539D-01  0.261362D+01  0.394906D+01
      3   0.236980D+01 -0.289474D+01  0.261362D+01  0.667374D+00 -0.129318D+01
                11            12            13            14            15 
      1   0.394906D+01 -0.129318D+01  0.339812D+01  0.892050D-01 -0.135388D+01
      2   0.169088D-01 -0.137544D+01  0.892050D-01  0.588312D+00 -0.288359D+01
      3  -0.137544D+01  0.182187D+01 -0.135388D+01 -0.288359D+01 -0.245132D+01
                16            17            18            19            20 
      1  -0.723005D+00 -0.161335D+01  0.129708D+01 -0.834365D+00 -0.335124D+01
      2  -0.161335D+01 -0.259200D+01 -0.135176D+01 -0.335124D+01  0.513954D+00
      3   0.129708D+01 -0.135176D+01  0.166120D+01  0.387695D+00 -0.121028D+01
                21            22            23            24            25 
      1   0.387695D+00 -0.373180D+01  0.499077D+00 -0.150167D+01 -0.320741D+00
      2  -0.121028D+01  0.499077D+00  0.320076D+01  0.201599D+01 -0.122173D+01
      3   0.453740D+01 -0.150167D+01  0.201599D+01 -0.238858D+01  0.551703D+01
                26            27            28            29            30 
      1  -0.122173D+01  0.551703D+01  0.622640D+00  0.174746D+01  0.141139D+01
      2   0.834728D+00 -0.330151D+01  0.174746D+01 -0.286850D+00  0.612961D-01
      3  -0.330151D+01 -0.916369D+00  0.141139D+01  0.612961D-01 -0.332016D+01
                31            32            33            34            35 
      1   0.247559D+01 -0.873513D+00 -0.187262D+00 -0.361706D-02  0.333894D+00
      2  -0.873513D+00 -0.481153D+01  0.118040D+01  0.333894D+00  0.453323D+00
      3  -0.187262D+00  0.118040D+01  0.221496D+01 -0.351519D+01  0.171315D+01
                36            37            38            39            40 
      1  -0.351519D+01 -0.545495D+01  0.124226D+01 -0.121669D+01  0.190333D+01
      2   0.171315D+01  0.124226D+01  0.605485D+00 -0.977139D+00 -0.202316D+00
      3  -0.173183D+00 -0.121669D+01 -0.977139D+00  0.287897D+01 -0.993806D+00
                41            42            43            44            45 
      1  -0.202316D+00 -0.993806D+00  0.546760D+00 -0.691543D+00  0.123332D+01
      2  -0.906153D+00 -0.229254D+01 -0.691543D+00 -0.155037D+01 -0.158260D+01
      3  -0.229254D+01 -0.261550D+01  0.123332D+01 -0.158260D+01  0.123399D+01
                46            47            48            49            50 
      1   0.221125D+01 -0.425654D+01  0.290174D+01 -0.576913D+01  0.956525D+00
      2  -0.425654D+01  0.116668D+01  0.525194D+00  0.956525D+00  0.280935D+00
      3   0.290174D+01  0.525194D+00  0.516199D+00  0.487521D+00  0.349029D+01
                51            52            53            54            55 
      1   0.487521D+00  0.330358D+01 -0.683769D-01 -0.270631D-01 -0.558772D+01
      2   0.349029D+01 -0.683769D-01  0.409404D+01  0.156928D+01 -0.262028D+01
      3   0.128905D+01 -0.270631D-01  0.156928D+01 -0.305124D+01 -0.265590D+01
                56            57            58            59            60 
      1  -0.262028D+01 -0.265590D+01 -0.216021D+01 -0.189341D+01 -0.108792D+01
      2  -0.260182D+01 -0.156398D+01 -0.189341D+01 -0.205337D+01 -0.123353D+01
      3  -0.156398D+01 -0.243327D+01 -0.108792D+01 -0.123353D+01 -0.149237D+01
                61            62            63            64            65 
      1  -0.164150D+01 -0.920968D+00 -0.142013D+01  0.191671D+01 -0.117709D+01
      2  -0.920968D+00 -0.909636D+00 -0.127798D+01 -0.117709D+01  0.144354D+01
      3  -0.142013D+01 -0.127798D+01 -0.198816D+01 -0.235691D+01  0.132152D+01
                66            67            68            69            70 
      1  -0.235691D+01 -0.686629D+00  0.620338D+00  0.365514D+00 -0.181630D+01
      2   0.132152D+01  0.620338D+00 -0.107642D+01 -0.139375D+01  0.591922D+00
      3   0.380367D+01  0.365514D+00 -0.139375D+01 -0.160086D+01  0.206821D+01
                71            72            73            74            75 
      1   0.591922D+00  0.206821D+01  0.535517D+01 -0.276290D+01  0.285701D+00
      2  -0.175517D+01 -0.227940D+01 -0.276290D+01  0.349404D+01  0.266002D+00
      3  -0.227940D+01 -0.623785D+01  0.285701D+00  0.266002D+00  0.961301D+00
                76            77            78            79            80 
      1  -0.210669D+01  0.205200D+01  0.216571D+00  0.135726D+00  0.217304D+00
      2   0.205200D+01 -0.323090D+01  0.220135D+00  0.217304D+00  0.219715D+00
      3   0.216571D+00  0.220135D+00 -0.435383D+00  0.590051D+00 -0.571045D+00
                81            82            83            84            85 
      1   0.590051D+00 -0.245816D+01 -0.224731D+01  0.837741D+00 -0.210385D+01
      2  -0.571045D+00 -0.224731D+01 -0.309795D+01  0.919007D+00 -0.205872D+01
      3  -0.143523D+00  0.837741D+00  0.919007D+00 -0.145235D+01  0.622928D+00
                86            87            88            89            90 
      1  -0.205872D+01  0.622928D+00  0.100631D+01  0.101860D+01 -0.988672D+00
      2  -0.507508D+01  0.158720D+01  0.101860D+01  0.231569D+01 -0.124149D+01
      3   0.158720D+01 -0.115568D+01 -0.988672D+00 -0.124149D+01  0.129127D+01
                91            92            93            94            95 
      1  -0.156272D+01  0.524336D+01 -0.202349D+01  0.628434D+01 -0.660382D+00
      2   0.524336D+01 -0.147528D+01  0.853567D+00 -0.660382D+00 -0.312566D+01
      3  -0.202349D+01  0.853567D+00 -0.435534D+01  0.100333D+01 -0.320600D+01
                96            97            98            99           100 
      1   0.100333D+01 -0.149568D+01  0.652033D+00 -0.390030D+01 -0.328037D+01
      2  -0.320600D+01  0.652033D+00 -0.268032D+01  0.103091D+01  0.175886D+01
      3   0.144101D+01 -0.390030D+01  0.103091D+01  0.429226D+01 -0.267497D+01
               101           102           103           104           105 
      1   0.175886D+01 -0.267497D+01  0.197402D+01 -0.138143D+01  0.127839D+01
      2  -0.142299D+01  0.125877D+01 -0.138143D+01  0.193362D+01 -0.221706D+01
      3   0.125877D+01 -0.336145D+01  0.127839D+01 -0.221706D+01  0.255309D+01
               106           107           108           109           110 
      1  -0.215860D+01  0.870955D+00 -0.292180D+01  0.339222D+00  0.872083D+00
      2   0.870955D+00 -0.180135D+01  0.213836D+01  0.872083D+00  0.435701D+00
      3  -0.292180D+01  0.213836D+01 -0.556344D+01 -0.267109D+00 -0.130213D+00
               111           112           113           114           115 
      1  -0.267109D+00  0.162199D+01  0.843335D+00 -0.244693D+00 -0.255527D-01
      2  -0.130213D+00  0.843335D+00  0.767014D+01 -0.203783D+01 -0.128610D+00
      3   0.322771D+00 -0.244693D+00 -0.203783D+01  0.181477D+01  0.408158D+00
               116           117           118           119           120 
      1  -0.128610D+00  0.408158D+00  0.343713D+01 -0.495298D+00 -0.219470D+01
      2  -0.105521D+01  0.108676D+01 -0.495298D+00  0.599816D+00  0.111602D+00
      3   0.108676D+01 -0.853372D+00 -0.219470D+01  0.111602D+00  0.288591D+01
               121           122           123           124           125 
      1  -0.169789D+01  0.525493D+00  0.785759D+00 -0.279169D+01  0.272252D-01
      2   0.525493D+00 -0.642679D-01 -0.938381D+00  0.272252D-01 -0.995833D+00
      3   0.785759D+00 -0.938381D+00 -0.168296D+01  0.253819D+01 -0.396166D+00
               126           127           128           129           130 
      1   0.253819D+01  0.206649D+01  0.791487D+00  0.964678D+00  0.249923D+01
      2  -0.396166D+00  0.791487D+00  0.208246D+00  0.326068D+00  0.556763D-01
      3  -0.464735D+01  0.964678D+00  0.326068D+00  0.312645D+00  0.399280D+00
               131           132           133           134           135 
      1   0.556763D-01  0.399280D+00  0.153632D+01  0.397719D+00  0.173429D+00
      2   0.308392D+01  0.166064D+01  0.397719D+00  0.179505D+01  0.157376D+01
      3   0.166064D+01  0.215387D+01  0.173429D+00  0.157376D+01  0.240397D+01
               136           137           138           139           140 
      1  -0.404883D+00 -0.215965D+01  0.598586D+00 -0.533976D+01  0.233853D+00
      2  -0.215965D+01 -0.128469D+01 -0.210803D+00  0.233853D+00 -0.200720D+01
      3   0.598586D+00 -0.210803D+00 -0.165877D+01 -0.170621D-02  0.625038D+00
               141           142           143           144           145 
      1  -0.170621D-02  0.625018D+00 -0.183934D+00 -0.625906D+00 -0.139426D+00
      2   0.625038D+00 -0.183934D+00  0.201381D+00 -0.703371D+00  0.440094D+01
      3  -0.424517D+00 -0.625906D+00 -0.703371D+00  0.431470D+00 -0.322589D+01
               146           147           148           149           150 
      1   0.440094D+01 -0.322589D+01  0.456281D+01 -0.238291D+00 -0.216863D+00
      2  -0.283877D+00 -0.181205D+00 -0.238291D+00 -0.127290D+01 -0.398154D+01
      3  -0.181205D+00 -0.203490D+00 -0.216863D+00 -0.398154D+01 -0.150701D+01
               151           152           153           154           155 
      1  -0.302234D+01 -0.147549D-01  0.343560D-01  0.427532D+00 -0.370084D+01
      2  -0.147549D-01 -0.333724D+01 -0.148710D+01 -0.370084D+01  0.670588D+00
      3   0.343560D-01 -0.148710D+01  0.201423D+01  0.195832D+01 -0.703072D+00
               156           157           158           159           160 
      1   0.195832D+01 -0.432983D+01  0.109198D+01 -0.889718D+00  0.222574D+01
      2  -0.703072D+00  0.109198D+01  0.415602D+01  0.219575D+01 -0.841501D+00
      3   0.298062D+01 -0.889718D+00  0.219575D+01 -0.758667D+00  0.396881D+01
               161           162           163           164           165 
      1  -0.841501D+00  0.396881D+01 -0.151339D+00 -0.485576D+01  0.158773D+01
      2   0.222775D+01 -0.659705D+00 -0.485576D+01  0.410440D+00 -0.953486D+00
      3  -0.659705D+00 -0.448422D+01  0.158773D+01 -0.953486D+00  0.235080D+01
               166           167           168           169           170 
      1  -0.474164D+01  0.341663D-01 -0.101146D+01  0.181746D+01 -0.109609D+01
      2   0.341663D-01  0.174165D+01  0.254878D+01 -0.109609D+01  0.269355D+01
      3  -0.101146D+01  0.254878D+01 -0.505338D+00  0.286927D+01 -0.129929D+01
               171           172           173           174           175 
      1   0.286927D+01  0.443116D+01 -0.225205D+01  0.233492D+01 -0.249182D+01
      2  -0.129929D+01 -0.225205D+01  0.205787D+01 -0.139648D+01  0.159412D+01
      3  -0.518524D+01  0.233492D+01 -0.139648D+01  0.306392D+01 -0.109816D+01
               176           177           178           179           180 
      1   0.159412D+01 -0.109816D+01  0.133470D+01 -0.669629D+00  0.151178D+01
      2  -0.223609D+01  0.194298D+01 -0.669629D+00  0.108973D+01 -0.955038D+00
      3   0.194298D+01 -0.187250D+01  0.151178D+01 -0.955038D+00  0.178383D+01
               181           182           183           184           185 
      1  -0.408979D+01 -0.214429D+01  0.221648D+01 -0.236524D+01 -0.149510D+01
      2  -0.214429D+01 -0.193636D+01  0.135140D+01 -0.149510D+01 -0.213308D+01
      3   0.221648D+01  0.135140D+01 -0.305266D+01  0.107023D+01  0.184538D+01
               186           187           188           189           190 
      1   0.107023D+01  0.154502D+01  0.716361D+00 -0.155135D+01  0.166859D+00
      2   0.184538D+01  0.716361D+00  0.110348D+01 -0.924046D+00  0.174714D+00
      3  -0.195406D+01 -0.155135D+01 -0.924046D+00  0.194724D+01  0.970622D+00
               191           192           193           194           195 
      1   0.174714D+00  0.970622D+00  0.817860D+00  0.320279D-01  0.204581D+00
      2   0.110732D+00  0.141240D+00  0.320279D-01  0.384659D+01  0.257065D+01
      3   0.141240D+00  0.249405D+00  0.204581D+00  0.257065D+01  0.444260D+01
               196           197           198           199           200 
      1   0.869219D+00  0.519649D-01  0.626494D-01 -0.408346D+00 -0.904805D+00
      2   0.519649D-01  0.197124D+01  0.209359D+01 -0.904805D+00 -0.905833D+00
      3   0.626494D-01  0.209359D+01  0.388064D+01 -0.551137D+00 -0.941447D-02
               201           202           203           204           205 
      1  -0.551137D+00 -0.254458D+01 -0.168683D+01  0.906142D-01 -0.108803D+01
      2  -0.941447D-02 -0.168683D+01 -0.592222D+01 -0.105436D+01 -0.124436D+00
      3  -0.329288D+00  0.906142D-01 -0.105436D+01 -0.117631D+01 -0.544108D+00
               206           207           208           209           210 
      1  -0.124436D+00 -0.544108D+00 -0.707789D+01  0.184734D+01 -0.196552D+01
      2  -0.118338D+01 -0.796472D+00  0.184734D+01 -0.127029D+01  0.501816D+00
      3  -0.796472D+00 -0.226036D+00 -0.196552D+01  0.501816D+00 -0.160462D+01
               211           212           213           214           215 
      1   0.401041D+01 -0.176963D+01  0.883654D+00 -0.403551D+01  0.915640D+00
      2  -0.176963D+01  0.125669D+01 -0.839178D+00  0.915640D+00 -0.117286D+01
      3   0.883654D+00 -0.839178D+00  0.103229D+01 -0.230908D+01  0.681672D+00
               216           217           218           219           220 
      1  -0.230908D+01 -0.231037D+01  0.230747D+00  0.160142D+01  0.743216D+00
      2   0.681672D+00  0.230747D+00 -0.399578D+00  0.127947D+00 -0.661248D+00
      3  -0.131624D+01  0.160142D+01  0.127947D+00 -0.186826D+01 -0.415577D-01
               221           222           223           224           225 
      1  -0.661248D+00 -0.415577D-01  0.379997D+01  0.231558D+00 -0.343653D+01
      2  -0.251505D+00  0.591357D+00  0.231558D+00  0.978235D+00 -0.378915D-01
      3   0.591357D+00  0.279841D+00 -0.343653D+01 -0.378915D-01  0.638328D+01
               226           227           228           229           230 
      1   0.408635D+01  0.172748D+01 -0.498152D+00  0.206477D+01  0.169343D+01
      2   0.172748D+01  0.311641D+01  0.402520D+00  0.169343D+01  0.338693D+01
      3  -0.498152D+00  0.402520D+00  0.778005D+00  0.886509D-01 -0.129564D+00
               231           232           233           234           235 
      1   0.886509D-01 -0.588568D+00  0.188213D+00  0.319984D+00 -0.114342D+01
      2  -0.129564D+00  0.188213D+00 -0.595594D+00  0.573051D+00  0.952460D+00
      3   0.648307D+00  0.319984D+00  0.573051D+00  0.322777D+00  0.109966D+01
               236           237           238           239           240 
      1   0.952460D+00  0.109966D+01  0.382789D+00 -0.293780D+00 -0.513932D-01
      2  -0.657839D+00 -0.394220D+00 -0.293780D+00  0.390216D+00  0.800907D+00
      3  -0.394220D+00 -0.153752D+01 -0.513932D-01  0.800907D+00  0.519817D+00
               241           242           243           244           245 
      1   0.177592D+01 -0.844059D+00 -0.212593D+01 -0.477953D+01  0.356006D+01
      2  -0.844059D+00  0.225784D+01  0.214332D+01  0.356006D+01 -0.364191D+01
      3  -0.212593D+01  0.214332D+01  0.725232D+01 -0.112379D+01  0.725419D+00
               246           247           248           249           250 
      1  -0.112379D+01  0.268754D+01 -0.251250D+01  0.655822D+00 -0.230747D+01
      2   0.725419D+00 -0.251250D+01  0.373002D+01 -0.109259D+01  0.163854D+01
      3  -0.139217D+01  0.655822D+00 -0.109259D+01  0.764707D+00 -0.142809D+01
               251           252           253           254           255 
      1   0.163854D+01 -0.142809D+01  0.461562D+01  0.198960D+01 -0.433951D+00
      2  -0.258948D+01  0.125248D+01  0.198960D+01  0.100424D+01 -0.104696D+00
      3   0.125248D+01 -0.810771D+00 -0.433951D+00 -0.104696D+00  0.744902D+00
               256           257           258           259           260 
      1  -0.198484D+01 -0.210320D+01 -0.116777D+00 -0.141154D+00  0.222724D+00
      2  -0.210320D+01 -0.495945D+01  0.318230D+00  0.222724D+00  0.442960D+00
      3  -0.116777D+00  0.318230D+00 -0.410998D+00  0.987044D+00 -0.741973D+00
               261           262           263           264           265 
      1   0.987044D+00 -0.217466D+01 -0.407591D+01  0.357801D+00 -0.530960D+01
      2  -0.741973D+00 -0.407591D+01  0.571946D-01  0.194651D+00 -0.128589D+01
      3   0.382791D+00  0.357801D+00  0.194651D+00  0.353262D+00  0.185904D+00
               266           267           268           269           270 
      1  -0.128589D+01  0.185904D+00  0.617116D+00  0.219480D+00 -0.102448D+01
      2   0.293375D+01  0.395946D+00  0.219480D+00  0.542102D+00  0.437296D+01
      3   0.395946D+00  0.381170D+01 -0.102448D+01  0.437296D+01 -0.102002D+01
               271           272           273           274           275 
      1   0.132135D+01  0.213890D+01 -0.251099D+00  0.875410D+01  0.356387D+01
      2   0.213890D+01  0.123404D+01  0.973967D-02  0.356387D+01  0.102799D+02
      3  -0.251099D+00  0.973967D-02  0.913537D-01  0.897403D-01 -0.483996D+00
               276           277           278           279           280 
      1   0.897403D-01 -0.620658D+00 -0.150396D+00  0.118032D+01  0.900686D+00
      2  -0.483996D+00 -0.150396D+00 -0.614136D+00  0.244292D+01 -0.793199D-01
      3   0.183143D+01  0.118032D+01  0.244292D+01 -0.628124D+00  0.775095D+00
               281           282           283           284           285 
      1  -0.793199D-01  0.775095D+00 -0.159206D+01  0.143637D+01 -0.601950D+00
      2  -0.332735D-01 -0.927604D-01  0.143637D+01 -0.344642D+01  0.179229D+01
      3  -0.927604D-01  0.145217D+00 -0.601950D+00  0.179229D+01 -0.255452D+01
               286           287           288           289           290 
      1   0.276672D+01 -0.115346D+01  0.159603D+01  0.896365D+01  0.169129D+01
      2  -0.115346D+01  0.263980D+01 -0.282235D+01  0.169129D+01  0.145645D+01
      3   0.159603D+01 -0.282235D+01  0.481887D+01 -0.205462D+00 -0.538466D-01
               291           292           293           294           295 
      1  -0.205462D+00  0.435413D+01  0.149234D+01 -0.662137D-01 -0.539072D+00
      2  -0.538466D-01  0.149234D+01  0.131989D+01 -0.110867D+00 -0.434583D-01
      3   0.118081D+01 -0.662137D-01 -0.110867D+00  0.382307D+00  0.116242D+01
               296           297           298           299           300 
      1  -0.434583D-01  0.116242D+01  0.714279D+00 -0.137977D+00 -0.672862D+00
      2  -0.176135D+00 -0.119194D+00 -0.137977D+00 -0.171216D+00  0.641505D-02
      3  -0.119194D+00 -0.636202D-01 -0.672862D+00  0.641505D-02 -0.196910D-01
               301           302           303           304           305 
      1  -0.188338D+01  0.157663D+01  0.422982D+00 -0.245940D+01  0.101482D+01
      2   0.157663D+01 -0.445298D+01 -0.197709D+01  0.101482D+01 -0.291195D+01
      3   0.422982D+00 -0.197709D+01 -0.256297D+01  0.119523D+01 -0.273747D+01
               306 
      1   0.119523D+01
      2  -0.273747D+01
      3  -0.345876D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.273112D+01 -0.127351D+01 -0.620654D+01 -0.148668D+01  0.898391D+01
      2   0.237024D+01  0.749104D+01  0.162504D+02  0.583490D+01  0.149119D+01
      3  -0.454914D+00 -0.597146D+01 -0.549615D+01 -0.177934D+01 -0.713566D+01
                 6             7             8             9            10 
      1   0.245286D+01 -0.564635D+01  0.737009D+01 -0.748106D+01 -0.106684D+01
      2  -0.168907D+01  0.768652D+01 -0.321726D+01 -0.917424D+01  0.173942D+01
      3   0.244649D+00 -0.278941D+01 -0.493418D+00  0.879317D+01  0.809849D+01
                11            12            13            14            15 
      1  -0.462751D+01  0.501623D+01 -0.478704D+01 -0.715013D+01 -0.898436D+01
      2  -0.626021D+00  0.273035D+01 -0.377280D+00  0.178736D+01  0.195687D+01
      3  -0.128875D+02  0.128422D+01 -0.783111D+01  0.280862D+00  0.289262D+01
                16            17            18            19            20 
      1   0.350976D+01 -0.210340D+01  0.604828D+01  0.626311D+01  0.206908D+00
      2  -0.189250D+01  0.125851D+01 -0.208843D+00 -0.581880D+01 -0.328914D+01
      3   0.194732D-01  0.229930D+01 -0.492542D+01 -0.722667D+01 -0.398423D+01
                21            22            23            24            25 
      1   0.657211D+00  0.159105D+01 -0.872047D+01 -0.485040D+01  0.200786D+00
      2  -0.398753D+01 -0.389731D+01 -0.245585D+01  0.140414D+01 -0.123054D+02
      3  -0.276555D+01  0.242193D+01  0.560516D+01  0.133457D+01 -0.209690D+01
                26            27            28            29            30 
      1   0.126813D+01  0.625714D+01 -0.750454D+01  0.760356D-01  0.419112D+01
      2   0.296859D+01  0.110145D+02  0.366598D+01  0.346869D+01  0.467851D+01
      3   0.954489D+00 -0.293969D+01  0.239635D+01  0.172852D+01  0.424348D+01
                31            32            33            34            35 
      1  -0.521839D+00  0.953628D+01 -0.779224D+01  0.557989D+01 -0.103846D+01
      2   0.660121D+01 -0.130480D+01 -0.502685D+00 -0.106781D+01 -0.219102D+00
      3   0.780015D+01  0.305449D+01 -0.144335D+01  0.402223D+01 -0.771902D+00
                36            37            38            39            40 
      1  -0.173357D+01  0.613212D+00  0.845745D+00 -0.179268D+01 -0.110417D+01
      2  -0.631399D+01  0.483678D+01 -0.211818D+01  0.103050D+01 -0.365329D+01
      3  -0.371378D+01 -0.238443D+01  0.415868D+01  0.701716D+00  0.649165D+01
                41            42            43            44            45 
      1   0.120613D+01 -0.193772D+01 -0.477839D+01  0.116828D+01 -0.386733D+01
      2  -0.153771D+01 -0.183227D+01 -0.465399D+01 -0.205984D+01  0.150412D+01
      3   0.929287D+00  0.145265D+01 -0.990918D+00  0.320546D-01  0.101393D+01
                46            47            48            49            50 
      1  -0.233989D+01  0.425091D+00 -0.225727D+00  0.172942D+01  0.342335D+01
      2  -0.189797D+01  0.365208D+01  0.601110D+00  0.352831D+01 -0.305769D+01
      3  -0.257575D+01  0.500784D+00 -0.163708D+01  0.744644D+01 -0.158593D+01
                51            52            53            54            55 
      1   0.144336D+01  0.404880D+00  0.888737D+01  0.931060D+00  0.230501D+01
      2  -0.174031D+00 -0.843895D+01 -0.396633D+00  0.142803D+01 -0.100498D+02
      3   0.160515D+01 -0.176997D+01  0.366257D+01  0.116562D+01  0.677412D+01
                56            57            58            59            60 
      1   0.465652D+01 -0.170416D+01  0.269251D+01  0.232476D+01 -0.133708D+01
      2  -0.294739D+01  0.318511D+00 -0.369095D+01 -0.250851D+01  0.482202D+00
      3  -0.214885D+01  0.137557D+01  0.234393D+01 -0.905350D+00 -0.710391D-01
                61            62            63            64            65 
      1  -0.350456D+00  0.125526D+01  0.161475D+00 -0.838576D+00 -0.287480D+01
      2  -0.244229D+01 -0.964928D-01  0.712609D+00  0.910139D+01 -0.413580D+01
      3   0.132918D+01 -0.605655D+00  0.905412D-01 -0.593989D+01  0.196213D+01
                66            67            68            69            70 
      1   0.415314D+01 -0.660209D+00 -0.102756D+00 -0.117164D+01  0.230497D+01
      2  -0.880577D+01 -0.242187D+01  0.347836D+01  0.273658D+01 -0.925041D+01
      3   0.540325D+01  0.314694D+01 -0.196033D+01 -0.294033D+01  0.449288D+01
                71            72            73            74            75 
      1   0.305021D+01 -0.481256D+01  0.128180D+01  0.403677D+00  0.389005D+01
      2   0.415963D+01  0.122838D+02  0.396295D+00 -0.170968D+00  0.100645D+01
      3  -0.249511D+01 -0.677267D+01 -0.185659D+02  0.670061D+01 -0.874169D+00
                76            77            78            79            80 
      1  -0.729814D-01  0.111162D+01 -0.220017D+01  0.125274D+01  0.379547D+00
      2  -0.343566D+00  0.142175D+00 -0.927881D+00 -0.183778D+01  0.320263D+00
      3   0.809706D+01 -0.636779D+01 -0.325239D+00 -0.748784D-01 -0.644616D+00
                81            82            83            84            85 
      1  -0.381189D+00  0.191667D+01  0.196037D+01 -0.514557D+01  0.183955D+01
      2  -0.193084D+00 -0.138103D+00 -0.481765D+00  0.231591D+01  0.212474D+00
      3  -0.165036D+01  0.649499D+01  0.818850D+00 -0.167000D+01  0.496977D+01
                86            87            88            89            90 
      1   0.365528D+01 -0.473318D+01 -0.219538D+01 -0.830620D+00  0.442554D+01
      2  -0.763411D+00  0.184498D+01 -0.660517D+00  0.992155D+00 -0.127127D+01
      3  -0.176137D+00 -0.671601D+00 -0.270830D+01  0.448994D-01  0.128307D+01
                91            92            93            94            95 
      1   0.196420D+01 -0.194921D+00  0.143098D+01  0.299642D+00  0.828938D+00
      2   0.282112D+01 -0.216423D+01  0.123455D+02 -0.297193D+01  0.644266D+01
      3   0.133302D+02 -0.347051D+01  0.726614D+00  0.746507D+01 -0.897936D+01
                96            97            98            99           100 
      1  -0.469315D+01  0.138933D+01  0.218238D+01 -0.403932D+01 -0.214729D+01
      2  -0.179756D+01  0.451969D+01 -0.154501D+01 -0.112335D+02 -0.274835D+01
      3  -0.658309D+01  0.101174D+01 -0.568907D+01 -0.168319D+00  0.606510D+00
               101           102           103           104           105 
      1   0.331726D+01  0.216106D+00  0.166699D+01 -0.322660D+01  0.878383D+00
      2   0.119610D+01  0.297088D+01  0.265727D+01  0.110066D+01 -0.255050D+01
      3  -0.313805D+01  0.769786D+00  0.474282D+00  0.286022D+01 -0.291359D+01
               106           107           108           109           110 
      1  -0.469084D+00  0.511889D+01 -0.850201D+00 -0.161927D+01 -0.642690D+00
      2  -0.221645D+01 -0.133921D+01  0.400984D+01 -0.224478D+00  0.129681D+01
      3  -0.619514D+00 -0.329212D+01  0.195043D+01  0.549692D+00  0.337748D+00
               111           112           113           114           115 
      1  -0.355631D+00 -0.960035D+00 -0.123321D+02 -0.167743D+01 -0.327469D-01
      2   0.721584D-01  0.317660D+01  0.252927D+01  0.425801D+00 -0.161767D+01
      3  -0.169267D+00  0.591596D+01 -0.158155D+01 -0.292827D+00 -0.337808D+00
               116           117           118           119           120 
      1   0.953137D+00 -0.961734D+00  0.386489D+01 -0.231546D+01 -0.337871D+01
      2  -0.632316D-01  0.119591D+01  0.762424D+01 -0.891206D+00 -0.845042D+00
      3  -0.411635D+00  0.373466D+00  0.418006D+01 -0.237325D+01 -0.330267D+01
               121           122           123           124           125 
      1  -0.162367D+01  0.196928D+01  0.271419D+01 -0.253401D+01  0.452286D+01
      2  -0.447105D+01  0.878440D+00  0.382848D-01 -0.613195D+01 -0.318636D+00
      3  -0.682689D+00  0.163430D+01  0.129726D+01 -0.331430D+01  0.168638D+01
               126           127           128           129           130 
      1   0.578111D+01  0.819643D+00 -0.272608D-01 -0.742664D+00  0.177004D+00
      2   0.280666D+01 -0.433241D-01  0.169039D+00  0.475315D+00 -0.165323D+01
      3   0.363753D+01  0.123823D+01  0.690749D+00  0.377388D+00  0.666526D+01
               131           132           133           134           135 
      1   0.675849D+00 -0.247765D+01  0.800543D+00  0.121398D+01 -0.198171D+01
      2   0.193161D+01  0.200017D+01 -0.363069D+01  0.962028D+00  0.258132D+01
      3  -0.215960D+01 -0.106329D+01  0.226214D+01 -0.112856D+01 -0.208596D+00
               136           137           138           139           140 
      1  -0.472179D+00  0.777844D-01 -0.658108D+00  0.205175D+00 -0.161265D+01
      2  -0.382383D+00 -0.840240D+00  0.734413D+01  0.203253D+01  0.693774D+00
      3   0.151727D+02 -0.822637D+01  0.167608D+01  0.129315D+02  0.529959D+01
               141           142           143           144           145 
      1  -0.354251D+01  0.723251D+00  0.141202D+01  0.300655D+00  0.977563D+01
      2  -0.138083D+01 -0.849500D+01 -0.275280D+01  0.666583D+00  0.193244D+01
      3  -0.814182D+00 -0.190472D+00  0.332366D+00  0.211446D+01  0.281818D+01
               146           147           148           149           150 
      1  -0.406793D+00  0.174720D-01 -0.591974D+00 -0.756735D+01 -0.172925D+02
      2  -0.126683D+02  0.144052D+02 -0.121013D+02  0.261569D+01  0.608040D+00
      3  -0.617945D+01  0.349597D+01 -0.236405D+01 -0.258412D+00 -0.181046D+01
               151           152           153           154           155 
      1  -0.459997D+00 -0.965757D+01 -0.323907D+01 -0.100502D+01  0.123108D+00
      2   0.629360D+01  0.125825D+01 -0.140154D+01 -0.796697D+01  0.384075D+01
      3   0.231047D+01 -0.209232D+01 -0.944881D+00 -0.145924D+02  0.209886D+01
               156           157           158           159           160 
      1   0.599759D+00  0.656131D+00  0.290236D+01 -0.910791D+00  0.137174D+01
      2  -0.106844D+02  0.494432D+01 -0.955031D+01  0.264677D+01 -0.206793D+02
      3  -0.289751D+01  0.907085D+01  0.192521D+02  0.897973D+01 -0.367584D+01
               161           162           163           164           165 
      1   0.297633D+01 -0.103203D+01 -0.824344D+01  0.223911D+01 -0.603785D+01
      2   0.212838D+01  0.174687D+02 -0.308829D+01  0.688042D+01 -0.437153D+01
      3   0.904636D+01 -0.267950D+01 -0.131014D+02 -0.154652D+02  0.112563D+01
               166           167           168           169           170 
      1   0.208354D+01 -0.604220D+01  0.138251D+01 -0.826046D+01  0.911930D+01
      2   0.622199D+01 -0.531926D+01  0.175635D+01 -0.101456D+02  0.409441D+01
      3  -0.107587D+02  0.250136D+01  0.350591D+01  0.178381D+01  0.341866D+01
               171           172           173           174           175 
      1   0.135959D+02 -0.468853D+01  0.554785D+01 -0.120512D-01  0.351565D+01
      2   0.108260D+02 -0.152860D+02  0.688629D+01 -0.565390D+01  0.835861D+01
      3   0.297684D+01 -0.690400D+01  0.148377D+01 -0.268790D+01  0.488943D+01
               176           177           178           179           180 
      1  -0.451827D+01  0.151957D+01 -0.871398D+00  0.339402D+01 -0.957124D+00
      2  -0.543235D+01  0.321941D+01 -0.601910D+01  0.290702D+01 -0.458091D+01
      3  -0.188584D+01  0.202776D+01 -0.175804D+01  0.657003D+00 -0.199063D+01
               181           182           183           184           185 
      1  -0.416878D+01 -0.546744D+01 -0.226652D+00 -0.325234D+01 -0.409228D+01
      2   0.116954D+02  0.461117D+01 -0.933539D+00  0.649472D+01  0.253610D+01
      3   0.343053D+01 -0.138810D+01 -0.507398D+00  0.243460D+01 -0.110253D+01
               186           187           188           189           190 
      1   0.133086D+01  0.873369D+00  0.353050D+01 -0.106771D+01  0.114452D+01
      2  -0.501577D+00 -0.424440D+01 -0.151121D+01  0.202905D+01 -0.780597D+00
      3   0.511968D+00 -0.830563D+00  0.759969D+00  0.659947D+00  0.211018D+00
               191           192           193           194           195 
      1  -0.102861D+00  0.511277D+00 -0.266035D+00  0.157313D+02  0.784176D+01
      2  -0.616957D+00 -0.155631D+01 -0.411964D+01 -0.123391D+01 -0.295844D+01
      3  -0.537644D+00 -0.527833D+00  0.169699D+01  0.184752D+01  0.148846D+01
               196           197           198           199           200 
      1   0.209626D+00  0.921487D+01  0.807024D+01 -0.689956D+00 -0.110079D-01
      2  -0.387309D+01 -0.141301D+01 -0.276284D+01  0.197387D+01  0.375836D+00
      3   0.150140D+00  0.128273D+01  0.112899D+01 -0.376016D+01 -0.280330D+01
               201           202           203           204           205 
      1  -0.337550D+00  0.327418D-01 -0.287186D+01 -0.374641D+01  0.129630D-01
      2   0.145298D+01 -0.210304D+00  0.498464D+01  0.581461D+01  0.482978D+00
      3   0.438033D+00 -0.573116D+00 -0.255151D+02 -0.536349D+01  0.815085D+00
               206           207           208           209           210 
      1  -0.301898D+00 -0.868115D+00  0.792914D-01  0.486315D+00  0.304229D+00
      2   0.349752D+01  0.175130D+01  0.890106D+01 -0.271456D+01  0.909837D+01
      3  -0.568548D+01 -0.317291D+01  0.798572D+01 -0.783219D+01  0.278711D+01
               211           212           213           214           215 
      1  -0.264113D+00 -0.486614D+00 -0.106078D+01 -0.110440D+00  0.112477D+01
      2  -0.394158D+01  0.372383D+01 -0.539219D+01  0.770816D+01 -0.282713D+01
      3  -0.501597D+01  0.582658D+01 -0.333583D+01  0.363440D+01 -0.608565D+01
               216           217           218           219           220 
      1   0.376550D+00  0.481191D+00 -0.738087D+00 -0.739273D+00 -0.576617D-01
      2   0.652357D+01 -0.500640D+01 -0.486132D+00  0.767501D+01 -0.344464D+00
      3   0.291630D+01  0.123589D+01 -0.248335D+01 -0.791242D-01 -0.110845D+01
               221           222           223           224           225 
      1   0.899189D-01 -0.634201D+00 -0.575524D+00  0.316727D+01  0.178488D+01
      2  -0.180531D+01 -0.868793D+00  0.787924D+01  0.615844D-01 -0.253946D+02
      3  -0.969461D+00  0.168250D+01  0.306168D+00  0.516825D+01  0.177414D+00
               226           227           228           229           230 
      1   0.343594D+01  0.142308D+01 -0.365841D+01  0.161877D+01  0.257662D+01
      2  -0.319353D+01 -0.201704D+01  0.407107D+00 -0.185861D+01 -0.113039D+01
      3   0.190535D+02  0.916469D+01 -0.145521D+01  0.113672D+02  0.102990D+02
               231           232           233           234           235 
      1  -0.306299D+01 -0.155787D+01 -0.590546D+00  0.147056D+00 -0.175651D+01
      2  -0.321311D+00 -0.115224D+01 -0.101481D+01 -0.753313D+00 -0.129045D+01
      3  -0.371085D+00 -0.203105D+01 -0.795829D+00  0.225738D+01  0.848424D-01
               236           237           238           239           240 
      1  -0.212430D-01  0.339843D+01  0.417415D+00 -0.192302D+01 -0.140314D+01
      2   0.411882D+00  0.351800D+01 -0.175655D+00 -0.176524D+01 -0.662445D+00
      3  -0.569850D+00  0.118440D+01  0.117779D+01 -0.635118D-03  0.123169D+01
               241           242           243           244           245 
      1   0.407735D+01  0.574100D+00 -0.174147D+02  0.528485D+01 -0.361948D+01
      2   0.254804D+00 -0.382146D+01 -0.155301D+02  0.482006D+01 -0.371564D+01
      3   0.293880D+01  0.422525D+01  0.343248D+00 -0.370803D+01 -0.278011D+01
               246           247           248           249           250 
      1   0.538885D+01 -0.342940D+01  0.469067D+01 -0.425101D+01  0.410294D+01
      2   0.576931D+01 -0.304873D+01  0.404448D+01 -0.307543D+01  0.329629D+01
      3  -0.128650D+01  0.292285D+01  0.311757D+01 -0.625940D+00 -0.263440D+01
               251           252           253           254           255 
      1  -0.291246D+01  0.339206D+01 -0.165276D+00 -0.121939D+00 -0.113730D+01
      2  -0.352267D+01  0.334415D+01 -0.320191D+01 -0.105863D+01 -0.109699D+02
      3  -0.325331D+01 -0.304231D+00 -0.121681D+02  0.875980D+00  0.655136D+00
               256           257           258           259           260 
      1   0.382268D+00  0.157240D+01  0.733057D+01  0.667904D+00  0.974419D+01
      2  -0.221707D+01  0.195642D+01 -0.710098D+01 -0.194701D+02 -0.102012D+01
      3   0.143576D+00  0.214989D+02 -0.165815D+01  0.234876D+01 -0.233859D+01
               261           262           263           264           265 
      1  -0.176533D+01 -0.170780D+00  0.390635D+00  0.163364D+01  0.445500D-01
      2   0.163975D+01  0.169885D+01  0.153288D+01  0.595459D+01  0.191059D+01
      3   0.251100D+01  0.198671D+02 -0.840154D+00 -0.119926D+01  0.146467D+02
               266           267           268           269           270 
      1   0.826978D+00  0.187993D+01 -0.338984D+01  0.739323D+01 -0.620852D+00
      2   0.188143D+01  0.164904D+02 -0.836780D+01  0.213091D+02 -0.474828D+01
      3  -0.120595D+02 -0.192063D+01 -0.128055D+01 -0.274752D+01 -0.195755D+02
               271           272           273           274           275 
      1   0.573513D+00  0.393101D+00  0.870194D+00  0.268513D+00 -0.535015D-01
      2  -0.103619D+01 -0.724587D-01  0.636231D+01  0.578795D+00 -0.240221D+01
      3  -0.782491D+01 -0.720953D+01 -0.388535D+00  0.367705D+01 -0.371378D+02
               276           277           278           279           280 
      1  -0.972551D+01 -0.163567D+00  0.391947D+00  0.109523D+01  0.451617D+00
      2   0.108582D+02  0.464449D+01  0.776527D+01 -0.306445D+01  0.311841D+01
      3   0.196829D+01 -0.116334D+01  0.253639D+01 -0.773562D+01  0.101349D-01
               281           282           283           284           285 
      1  -0.145414D+00 -0.701327D-01 -0.640523D+00  0.878945D+00 -0.351501D+01
      2  -0.332920D+00  0.710832D+00 -0.203621D+01  0.804224D+01 -0.113187D+02
      3  -0.585950D+00 -0.378171D+00 -0.339548D+01  0.138157D+02 -0.742209D+01
               286           287           288           289           290 
      1   0.113952D+01 -0.711083D+00  0.476076D+01 -0.113711D+00  0.189072D-01
      2   0.465735D+01 -0.124973D+02  0.212613D+02 -0.190635D+01 -0.499369D+00
      3   0.182148D+01 -0.109758D+02  0.117311D+02 -0.137478D+02 -0.100808D+02
               291           292           293           294           295 
      1   0.396123D+00  0.640184D-01 -0.340978D-01 -0.770487D+00  0.702793D+00
      2   0.721059D+01 -0.692789D+00 -0.666084D+00  0.224741D+01  0.368442D+01
      3   0.483056D+00 -0.743879D+01 -0.741312D+01  0.556922D+00  0.500563D+00
               296           297           298           299           300 
      1   0.462535D+00 -0.214772D-01 -0.533385D+00 -0.108341D-02 -0.245822D+00
      2  -0.661858D+00 -0.451612D+00 -0.302102D+01 -0.197400D+00  0.257994D+00
      3   0.935118D+00  0.907924D-01  0.470795D+00  0.188667D+00  0.823125D+00
               301           302           303           304           305 
      1   0.819122D+00 -0.201936D+01 -0.415778D+01  0.101645D+01 -0.148329D+01
      2   0.167456D+01 -0.932731D+01 -0.114755D+02  0.368967D+01 -0.123286D+02
      3  -0.345352D+01  0.183151D+02  0.846410D+01 -0.148108D+01  0.124648D+02
               306 
      1  -0.426112D+01
      2  -0.155826D+02
      3   0.115668D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.161288D+01 -0.104874D+02 -0.189823D+02 -0.759133D+01 -0.972579D+01
      2   0.732490D+01  0.372847D+01 -0.395391D+01  0.367575D+01  0.104684D+02
      3  -0.571202D+01  0.675891D+01  0.229362D+02  0.391558D+01 -0.742643D+00
      4  -0.157054D+02 -0.986622D+01 -0.128323D+02 -0.856039D+01  0.451998D+01
      5  -0.166860D+02 -0.146870D+02 -0.977972D+01 -0.113162D+02 -0.146802D+01
      6  -0.211640D+02 -0.673178D+01  0.469118D+01 -0.494505D+01  0.673781D+01
                 6             7             8             9            10 
      1   0.178800D+01 -0.130562D+02  0.255935D+01  0.137739D+02  0.946431D+01
      2   0.737553D+01 -0.320777D+01  0.636537D+01 -0.553087D+01 -0.204062D+02
      3  -0.916353D+01  0.162639D+02 -0.892472D+01 -0.824306D+01  0.109419D+02
      4  -0.102931D+01 -0.722053D+01 -0.868693D-01 -0.219631D+00  0.982980D+00
      5  -0.590108D+01 -0.267278D+01 -0.467648D+01  0.102749D+02  0.402462D+01
      6  -0.495742D+01  0.404564D+01 -0.701433D+01 -0.925113D+01  0.548050D+01
                11            12            13            14            15 
      1  -0.137683D+01 -0.183330D+00 -0.296163D+01 -0.435192D+00 -0.475282D+01
      2  -0.184300D+01  0.831832D+01 -0.723894D+00 -0.330872D+01  0.110664D+02
      3   0.321983D+01 -0.813499D+01  0.368552D+01  0.374392D+01 -0.631359D+01
      4  -0.169086D+02  0.631202D+01 -0.123776D+02 -0.274702D+01  0.929343D+01
      5   0.518619D+01 -0.370272D+01  0.433705D+01  0.730985D+01  0.321283D+01
      6   0.779220D+01 -0.577168D+01  0.601866D+01  0.977196D+01  0.139794D+01
                16            17            18            19            20 
      1  -0.219040D+01 -0.584191D+01 -0.399891D+01 -0.373878D+00  0.511039D+01
      2   0.809238D+01  0.140595D+02  0.869046D+01  0.139370D+00 -0.533220D+01
      3  -0.590199D+01 -0.821761D+01 -0.469155D+01  0.234508D+00  0.221812D+00
      4   0.370762D+01  0.977268D+01 -0.351906D+01  0.911271D+01 -0.392453D+01
      5  -0.376658D+01  0.133394D+00 -0.435324D+01 -0.145190D+01  0.107612D+02
      6  -0.482573D+01  0.119222D+01 -0.269881D+01  0.110145D+02  0.146701D+00
                21            22            23            24            25 
      1   0.664240D+01  0.492767D+01  0.386167D+01 -0.985044D+00  0.949570D+01
      2   0.102446D+02 -0.599059D+01  0.104955D+01 -0.863710D+01  0.560371D+01
      3  -0.168870D+02  0.106292D+01 -0.491122D+01  0.962214D+01 -0.150994D+02
      4   0.783176D+01 -0.406743D+01 -0.608627D+01 -0.921136D+01  0.671801D+01
      5  -0.144743D+02  0.101720D+02 -0.988919D+01  0.116319D+02 -0.186566D+02
      6   0.949254D+01 -0.291528D+01 -0.753127D+01 -0.763862D+01  0.801744D+01
                26            27            28            29            30 
      1  -0.156937D+01 -0.156024D+02  0.116380D+00  0.171859D+01 -0.906565D+01
      2  -0.568728D+01  0.924651D+01  0.753581D+01 -0.291177D+01 -0.682080D+01
      3   0.725665D+01  0.635585D+01 -0.765219D+01  0.119318D+01  0.158865D+02
      4  -0.540811D+01  0.133979D+02  0.173464D+01  0.176700D+01 -0.420942D+00
      5   0.129555D+02 -0.872625D+01 -0.390482D+00 -0.387851D+01 -0.651984D+01
      6  -0.446919D+01  0.912545D+01 -0.692162D+01  0.380827D+00 -0.276806D+01
                31            32            33            34            35 
      1   0.122304D+01  0.129775D+02  0.188711D+01 -0.100714D+02  0.273765D+01
      2  -0.422971D+01 -0.192956D+02  0.105054D+02 -0.509342D+01  0.436070D+01
      3   0.300668D+01  0.631805D+01 -0.123925D+02  0.151648D+02 -0.709835D+01
      4   0.225775D+01  0.375252D+00  0.148246D+01 -0.172550D+01 -0.117255D+00
      5  -0.508246D+01  0.601229D+01  0.213658D+01 -0.243621D+01 -0.173157D+00
      6   0.252540D+01  0.183556D+02 -0.146707D+01 -0.404622D+01  0.149771D+01
                36            37            38            39            40 
      1  -0.238250D+01 -0.340889D+02  0.232602D+01  0.802623D+00  0.982121D+01
      2   0.409289D+01  0.171800D+02 -0.274096D+01  0.270968D+00 -0.310494D+01
      3  -0.171038D+01  0.169089D+02  0.414937D+00 -0.107359D+01 -0.671627D+01
      4  -0.321184D+01 -0.204860D+01 -0.990798D+01  0.147976D+01 -0.327446D+01
      5   0.914658D+01  0.288679D+00  0.212607D+01 -0.850306D+01  0.308385D+01
      6  -0.673208D+01  0.413880D+01 -0.129438D+01 -0.742948D+00 -0.191172D+01
                41            42            43            44            45 
      1   0.332886D+01 -0.787032D+00  0.261544D+01 -0.219479D+01  0.750521D+01
      2  -0.420811D+00 -0.245128D+01  0.166672D+00  0.160130D+01 -0.239045D+01
      3  -0.290805D+01  0.323832D+01 -0.278211D+01  0.593496D+00 -0.511477D+01
      4   0.828475D+00 -0.212587D+01  0.141679D+01 -0.438710D-01 -0.781573D+00
      5  -0.257998D+01 -0.248628D+01 -0.350768D+01 -0.194432D+01 -0.271299D+01
      6  -0.534784D+01 -0.784719D+01  0.519816D+00 -0.550058D+01 -0.100691D+01
                46            47            48            49            50 
      1  -0.153747D+02  0.663440D+01 -0.261204D+01  0.118636D+02 -0.574141D+01
      2   0.233711D+01  0.247841D+00 -0.121714D+00 -0.517881D+01 -0.431654D+01
      3   0.130376D+02 -0.688224D+01  0.273375D+01 -0.668480D+01  0.100580D+02
      4   0.106114D+02 -0.140957D+01 -0.181058D+01 -0.985296D-01  0.560407D+00
      5  -0.300960D+01 -0.483930D+01  0.412968D+01 -0.418226D+01 -0.451224D+01
      6  -0.795106D+01  0.720279D+00  0.118008D+01  0.843543D+00 -0.605306D+01
                51            52            53            54            55 
      1   0.498039D+01 -0.659000D+01  0.760749D+01 -0.185317D+01  0.199363D+02
      2  -0.868818D+01  0.140320D+01 -0.119763D+02 -0.217873D+00 -0.120666D+02
      3   0.370778D+01  0.518681D+01  0.436878D+01  0.207104D+01 -0.786968D+01
      4  -0.638838D+01  0.113334D+01 -0.899320D+01  0.127162D+01  0.248480D+02
      5   0.321678D+00  0.200251D+01 -0.129526D+01  0.571443D+01  0.280046D+02
      6   0.552176D+01  0.392148D+00  0.203019D+01  0.300914D+01  0.166297D+02
                56            57            58            59            60 
      1   0.326913D+01  0.404510D+01  0.392867D+01  0.714643D+00 -0.143415D+01
      2   0.111102D+01 -0.633245D+01  0.100932D+01  0.411353D+01 -0.456023D+00
      3  -0.438015D+01  0.228736D+01 -0.493798D+01 -0.482817D+01  0.189017D+01
      4   0.180908D+02  0.136455D+02  0.153160D+02  0.136596D+02  0.804535D+01
      5   0.147597D+02  0.209804D+02  0.108884D+02  0.103596D+02  0.847344D+01
      6   0.142207D+02  0.125069D+02  0.101089D+02  0.111471D+02  0.103795D+02
                61            62            63            64            65 
      1   0.304718D+01 -0.116054D+01 -0.866880D+00 -0.735906D+01  0.893817D+01
      2  -0.442349D+01 -0.198574D+01 -0.511724D+01 -0.220236D+01 -0.386485D+01
      3   0.137632D+01  0.314628D+01  0.598412D+01  0.956142D+01 -0.507332D+01
      4   0.757350D+01  0.577547D+01  0.770820D+01 -0.288309D+01  0.260243D+01
      5   0.139715D+02  0.751403D+01  0.122772D+02 -0.522875D+01  0.339460D+01
      6   0.720274D+01  0.850192D+01  0.106523D+02  0.955886D+01 -0.892789D+01
                66            67            68            69            70 
      1   0.167570D+02  0.410640D+01 -0.801323D+01 -0.779918D+01  0.103757D+02
      2   0.400173D+01 -0.256168D+01  0.323844D+01  0.186527D+01  0.191716D+01
      3  -0.207588D+02 -0.154472D+01  0.477479D+01  0.593390D+01 -0.122928D+02
      4   0.476778D+01  0.295780D+01 -0.962248D+00  0.531187D-02  0.418268D+01
      5   0.682644D+01  0.266678D+01 -0.109785D+01  0.384926D+00  0.676556D+01
      6  -0.142032D+02 -0.407818D+01  0.809191D+01  0.130171D+02 -0.678091D+01
                71            72            73            74            75 
      1  -0.105981D+02 -0.275165D+02 -0.308006D+01  0.110593D+02  0.113819D+01
      2   0.617757D+00 -0.955119D+01  0.134472D+02 -0.193815D+02 -0.813255D+00
      3   0.998032D+01  0.370677D+02 -0.103672D+02  0.832229D+01 -0.324934D+00
      4   0.484719D+00 -0.154497D+01 -0.150592D+02  0.109378D+02 -0.120097D+01
      5   0.879453D+00 -0.127235D+01 -0.218667D+01  0.663710D+00  0.110793D+01
      6   0.147848D+02  0.238240D+02 -0.391686D+00 -0.190115D+01 -0.484954D+01
                76            77            78            79            80 
      1   0.568409D+01 -0.100160D+02 -0.835588D-01  0.583001D+00  0.588033D-01
      2  -0.116096D+02  0.200295D+02 -0.161041D+01 -0.113304D+01 -0.105307D+01
      3   0.592555D+01 -0.100135D+02  0.169397D+01  0.550042D+00  0.994271D+00
      4   0.991887D+01 -0.765916D+01 -0.674728D+00 -0.191804D+00 -0.126478D+01
      5   0.408553D+00 -0.151478D+01 -0.435961D+00  0.259275D+01 -0.626332D+00
      6  -0.140106D+01  0.357346D+00  0.390240D+01 -0.329106D+01  0.524919D+01
                81            82            83            84            85 
      1  -0.211501D+01  0.395468D+01 -0.428712D+01 -0.254326D+00 -0.134847D+01
      2   0.133486D+01  0.765663D+01  0.159663D+02 -0.349923D+01  0.948129D+01
      3   0.780147D+00 -0.116113D+02 -0.116792D+02  0.375355D+01 -0.813283D+01
      4  -0.147589D+01  0.143645D+02  0.187244D+02 -0.593289D+01  0.146492D+02
      5   0.375369D+00 -0.424237D+01 -0.366097D+01  0.527347D+01 -0.259531D+01
      6   0.121753D+01 -0.427965D+01 -0.520157D+01  0.699658D+01 -0.362627D+01
                86            87            88            89            90 
      1  -0.115881D+02  0.334570D+01  0.303660D-01  0.571752D+01 -0.305739D+01
      2   0.297312D+02 -0.809783D+01 -0.335858D+01 -0.119491D+02  0.407540D+01
      3  -0.181431D+02  0.475213D+01  0.332821D+01  0.623157D+01 -0.101801D+01
      4   0.209761D+02 -0.654553D+01 -0.611870D+01 -0.851621D+01  0.670450D+01
      5  -0.514607D+01  0.393241D+01  0.440881D+01  0.430636D+01 -0.470017D+01
      6  -0.878778D+01  0.742438D+01  0.515687D+01  0.930916D+01 -0.739085D+01
                91            92            93            94            95 
      1  -0.181616D+01 -0.246319D+02  0.675364D+01 -0.284811D+02  0.859832D+01
      2   0.752001D+01  0.113319D+02 -0.232496D+01  0.137921D+02 -0.771904D+01
      3  -0.570385D+01  0.132999D+02 -0.442868D+01  0.146890D+02 -0.879278D+00
      4  -0.250140D+02  0.804410D+01 -0.219607D+01  0.609185D+01  0.111025D+02
      5   0.397410D+01 -0.629993D+00  0.144299D+02 -0.176190D+01  0.883076D+01
      6   0.299929D+01 -0.366958D+00 -0.249652D+01 -0.236730D+00 -0.199713D+01
                96            97            98            99           100 
      1  -0.184166D+01  0.675545D+01  0.420639D+00  0.165892D+02  0.989590D+01
      2  -0.182407D+01 -0.154298D+01 -0.490314D+01 -0.642581D+01 -0.119649D+02
      3   0.366573D+01 -0.521247D+01  0.448250D+01 -0.101634D+02  0.206898D+01
      4   0.113403D+02 -0.333762D+01  0.115005D+02 -0.635259D+01 -0.105605D+02
      5  -0.557417D+01  0.159873D+02 -0.417630D+01 -0.154900D+02  0.203942D+02
      6  -0.282013D+00 -0.286415D+01  0.137652D+01  0.353751D+01 -0.833747D+01
               101           102           103           104           105 
      1  -0.287895D+01  0.191334D+01 -0.249516D+01 -0.330899D+01  0.397751D+01
      2   0.341809D+01 -0.112132D+02  0.320739D+01 -0.645444D+00  0.388638D+01
      3  -0.539148D+00  0.929985D+01 -0.712226D+00  0.395444D+01 -0.786390D+01
      4   0.928597D+01 -0.786446D+01  0.943679D+01 -0.946493D+01  0.958473D+01
      5  -0.984235D+01  0.233695D+02 -0.102704D+02  0.112665D+02 -0.126978D+02
      6   0.663852D+01 -0.825174D+01  0.712526D+01 -0.108249D+02  0.144045D+02
               106           107           108           109           110 
      1  -0.172246D+00  0.344868D+01 -0.803805D+01 -0.976052D-01 -0.904454D+00
      2  -0.958286D+01  0.409010D+01 -0.168543D+02  0.252248D+01  0.229736D+01
      3   0.975511D+01 -0.753878D+01  0.248924D+02 -0.242488D+01 -0.139291D+01
      4  -0.616333D+01  0.740917D+01 -0.991376D+01  0.581468D+00  0.535741D+01
      5   0.201582D+02 -0.106191D+02  0.279996D+02 -0.810453D+00 -0.213295D+01
      6  -0.718053D+01  0.117166D+02 -0.145364D+02 -0.260232D+01 -0.126239D+01
               111           112           113           114           115 
      1   0.101623D+01 -0.898026D+00 -0.251181D+02  0.989878D+01  0.251291D+01
      2   0.310866D+00  0.231912D+01  0.351320D+02 -0.731907D+01  0.126287D+00
      3  -0.132709D+01 -0.142109D+01 -0.100139D+02 -0.257971D+01 -0.263920D+01
      4  -0.116912D+01  0.606325D+01  0.157098D+01 -0.124046D+01 -0.210563D+00
      5   0.301877D+01 -0.365348D+01 -0.416449D+01  0.108110D+01  0.269474D+01
      6   0.103270D+01 -0.389997D+01 -0.268228D+02  0.133386D+02  0.152774D+01
               116           117           118           119           120 
      1   0.524830D+01 -0.513606D+01  0.215504D+01 -0.117880D+01  0.493602D+01
      2  -0.234433D+01  0.283015D+01 -0.962663D+01  0.161771D+01  0.756678D+01
      3  -0.290396D+01  0.230591D+01  0.747159D+01 -0.438906D+00 -0.125028D+02
      4   0.155753D+00  0.334398D+00  0.159949D+01  0.148750D+01 -0.149578D+01
      5   0.662629D+00 -0.173461D+01 -0.120001D+02  0.111859D+01  0.127969D+02
      6   0.929663D+01 -0.594273D+01  0.804356D-01 -0.279865D+01  0.213903D+01
               121           122           123           124           125 
      1  -0.216004D+00 -0.367792D+01 -0.356233D+01  0.310145D+01  0.202448D-01
      2   0.285404D+01  0.120303D+01 -0.492669D+01  0.751820D+01 -0.270509D+01
      3  -0.263804D+01  0.247489D+01  0.848903D+01 -0.106197D+02  0.268485D+01
      4   0.117941D+01 -0.692970D+00 -0.105587D+01 -0.172618D+01 -0.125218D+01
      5   0.446210D+01 -0.270691D+01 -0.402322D+01  0.119257D+02 -0.278593D+00
      6  -0.212254D+01  0.265358D+00  0.419587D+01  0.210772D+01  0.491949D+01
               126           127           128           129           130 
      1  -0.130066D+02  0.806489D+01  0.551942D+00  0.106907D+01  0.422393D+01
      2  -0.132565D+02 -0.297861D+01  0.169840D+00 -0.533634D+00 -0.204444D+01
      3   0.262631D+02 -0.508628D+01 -0.721782D+00 -0.535438D+00 -0.217950D+01
      4   0.176393D+01  0.170388D+01  0.293463D+01  0.188291D+01  0.455400D+01
      5  -0.133288D+02  0.211606D+01  0.147661D+01  0.280049D+01  0.217872D+01
      6  -0.207141D+01  0.251696D+01  0.110802D+01  0.175627D+01  0.112918D+01
               131           132           133           134           135 
      1  -0.874379D+01 -0.491904D+01  0.226415D+01 -0.416835D+01 -0.802857D+01
      2   0.102450D+02  0.414293D+01 -0.186388D+01  0.256632D+01  0.125352D+01
      3  -0.150117D+01  0.776105D+00 -0.400265D+00  0.160203D+01  0.677505D+01
      4   0.265560D+01  0.240489D+01  0.203460D+01  0.200832D+01  0.229964D+01
      5   0.237587D+01  0.256132D+01  0.375192D+01  0.263571D+01  0.414339D+01
      6   0.883361D+01  0.823819D+01  0.123958D+01  0.734850D+01  0.836024D+01
               136           137           138           139           140 
      1   0.218547D+02 -0.820451D+01  0.460827D+01 -0.223591D+02 -0.365622D+01
      2  -0.118928D+02  0.252845D+01 -0.224397D+01  0.120319D+02  0.525181D+01
      3  -0.996195D+01  0.567607D+01 -0.236430D+01  0.103272D+02 -0.159559D+01
      4  -0.636913D+01  0.174847D+02 -0.143793D+01  0.116296D+02 -0.431147D+01
      5   0.293815D+01 -0.124930D+01  0.151467D+02 -0.206061D+01  0.131251D+01
      6  -0.707489D+00 -0.615559D+00  0.699301D+00 -0.118191D+00  0.273045D+00
               141           142           143           144           145 
      1   0.725193D-01  0.324070D+01  0.674150D+00 -0.561493D+01  0.112767D+02
      2   0.563281D+00 -0.812131D+00 -0.204181D+00  0.112862D+01 -0.187150D+01
      3  -0.635800D+00 -0.242857D+01 -0.469969D+00  0.448632D+01 -0.940521D+01
      4   0.142802D+01 -0.118178D+01 -0.421810D+00 -0.315249D+01 -0.687183D+01
      5   0.816127D+00  0.706812D+00 -0.176520D+01  0.540460D+00  0.442881D+01
      6   0.544266D+01  0.597975D+00  0.334952D+01 -0.866855D+00  0.246161D+02
               146           147           148           149           150 
      1  -0.618789D+01  0.465837D+01 -0.620728D+01  0.936933D+01  0.619586D+01
      2   0.305265D+01 -0.305550D+01  0.340244D+01  0.880411D+01  0.747726D+01
      3   0.313524D+01 -0.160288D+01  0.280484D+01 -0.181734D+02 -0.136731D+02
      4  -0.845270D+01  0.986506D+01 -0.838846D+01  0.169980D+01  0.552691D+01
      5   0.205154D+02 -0.160404D+02  0.201822D+02  0.423564D+01  0.156062D+01
      6  -0.153551D+01 -0.229437D+00 -0.131942D+01 -0.378530D+01 -0.203731D+02
               151           152           153           154           155 
      1   0.424596D+01  0.266443D+01 -0.583528D+01 -0.263867D+01  0.284778D+02
      2  -0.184353D+01  0.843956D+01 -0.480120D+01  0.208284D+01 -0.143790D+02
      3  -0.240243D+01 -0.111040D+02  0.106365D+02  0.555838D+00 -0.140988D+02
      4   0.567757D+01  0.500153D+01  0.106899D+01  0.287841D+02 -0.451742D+01
      5  -0.129536D+02  0.162768D+01 -0.265720D+01 -0.158202D+02  0.455636D+01
      6  -0.221061D+00 -0.150757D+02 -0.104828D+02 -0.843575D+00 -0.350104D+00
               156           157           158           159           160 
      1  -0.173191D+02  0.334362D+02 -0.758202D+01  0.788642D+01 -0.219285D+02
      2   0.564847D+01 -0.183622D+02  0.582875D+00 -0.413037D+01  0.499137D+01
      3   0.116706D+02 -0.150739D+02  0.699915D+01 -0.375605D+01  0.169371D+02
      4   0.478910D+01 -0.865109D+01 -0.256948D+02 -0.142392D+02  0.735583D+01
      5  -0.206971D+02  0.761152D+01 -0.135268D+02  0.580625D+01 -0.307236D+02
      6  -0.679305D+00 -0.968882D+00  0.893954D+00  0.125462D+01 -0.179700D+00
               161           162           163           164           165 
      1   0.721666D+01 -0.226506D+02  0.896915D+01  0.243188D+02 -0.791245D+01
      2  -0.385977D+01  0.188026D+02 -0.215926D+02 -0.118169D+02 -0.380070D+01
      3  -0.335690D+01  0.384797D+01  0.126235D+02 -0.125019D+02  0.117131D+02
      4  -0.146424D+02  0.477518D+01  0.210600D+02 -0.199401D+02  0.959641D+01
      5   0.496781D+01  0.316708D+02 -0.835930D+01  0.232234D+01 -0.875059D+01
      6   0.704182D+00  0.190194D+01  0.408777D+01 -0.655141D+01  0.812480D+01
               166           167           168           169           170 
      1   0.237868D+02 -0.884276D+01 -0.291609D+00 -0.103101D+02  0.190108D+01
      2  -0.115185D+02  0.729811D+01  0.942044D+01 -0.476094D+01  0.122946D+02
      3  -0.122683D+02  0.154465D+01 -0.912883D+01  0.150711D+02 -0.141957D+02
      4  -0.171101D+02 -0.511348D+01 -0.132504D+02  0.121103D+02 -0.159956D+02
      5   0.189447D+01 -0.108714D+02  0.241863D+01 -0.123991D+02  0.726976D+01
      6  -0.540300D+01  0.118788D+02 -0.355211D+00  0.108576D+02 -0.431664D+01
               171           172           173           174           175 
      1  -0.369719D+01 -0.527092D+01  0.787142D+01 -0.122518D+02  0.594370D+01
      2   0.109816D+02 -0.781148D+00 -0.424259D+01 -0.359458D+01 -0.346780D+01
      3  -0.728445D+01  0.605207D+01 -0.362882D+01  0.158464D+02 -0.247591D+01
      4   0.125757D+02 -0.689339D+01  0.529276D+01 -0.444674D+01  0.608572D+01
      5   0.242667D+02  0.176309D+02 -0.961313D+01  0.116383D+02 -0.107717D+02
      6  -0.187773D+02 -0.137017D+02  0.127388D+02 -0.114180D+02  0.950071D+01
               176           177           178           179           180 
      1  -0.104517D+02  0.862733D+01 -0.556884D+01  0.479929D+01 -0.877068D+01
      2   0.594288D+01 -0.594083D+00 -0.225973D+01 -0.264142D+00 -0.323863D+01
      3   0.450880D+01 -0.803324D+01  0.782857D+01 -0.453514D+01  0.120093D+02
      4  -0.367468D+01  0.118747D+01 -0.244872D+01  0.103747D+01 -0.216236D+01
      5   0.512335D+01 -0.471884D+01  0.824709D+01 -0.353102D+01  0.687629D+01
      6  -0.132830D+02  0.141353D+02 -0.611478D+01  0.893609D+01 -0.809143D+01
               181           182           183           184           185 
      1   0.749792D+01 -0.902936D+00  0.500365D+01  0.104118D+01 -0.526661D+01
      2  -0.720143D+01  0.590561D+00  0.736276D+01 -0.307168D+00  0.305241D+01
      3  -0.296487D+00  0.312374D+00 -0.123664D+02 -0.734007D+00  0.221420D+01
      4   0.132291D+02  0.109337D+02 -0.818148D+01  0.102033D+02  0.954267D+01
      5  -0.230613D+02 -0.130151D+02  0.191203D+02 -0.132222D+02 -0.988088D+01
      6  -0.128025D+02 -0.118512D+02  0.110894D+02 -0.871881D+01 -0.125578D+02
               186           187           188           189           190 
      1   0.557634D+01  0.156621D+01  0.276968D+01 -0.426062D+01 -0.190383D+01
      2   0.109749D+01  0.457325D+01  0.820772D+00 -0.576197D+01 -0.146582D+01
      3  -0.667382D+01 -0.613946D+01 -0.359045D+01  0.100226D+02  0.336965D+01
      4  -0.652436D+01 -0.440310D+01 -0.404304D+01  0.514882D+01 -0.108503D+00
      5   0.935298D+01  0.130464D+02  0.619872D+01 -0.119579D+02 -0.761675D+00
      6   0.134365D+02  0.630583D+01  0.895482D+01 -0.781768D+01  0.378823D+00
               191           192           193           194           195 
      1  -0.507680D+00 -0.219894D+01 -0.118544D+01 -0.865273D+01 -0.148277D+02
      2  -0.407969D+00  0.315052D+00 -0.272318D+00 -0.333378D+01 -0.116246D+02
      3   0.915649D+00  0.188389D+01  0.145775D+01  0.119865D+02  0.264523D+02
      4   0.288567D+01 -0.153181D+00  0.284104D+01 -0.576177D+01 -0.298175D+01
      5   0.114790D+01  0.638311D+01  0.433144D+01 -0.265599D+01 -0.468022D+01
      6   0.891086D+00  0.590086D+00  0.617009D+00  0.203851D+02  0.154378D+02
               196           197           198           199           200 
      1  -0.153057D+01 -0.674637D+01 -0.138044D+02  0.381956D+01  0.495859D+01
      2   0.394533D+00 -0.692066D+01 -0.127642D+02 -0.257157D-01 -0.296218D+00
      3   0.113603D+01  0.136670D+02  0.265686D+02 -0.379384D+01 -0.466237D+01
      4   0.705602D-01 -0.261368D+01 -0.288314D+01  0.611448D+01  0.104568D+02
      5   0.609319D+01 -0.250316D+01 -0.460246D+01  0.337148D+01  0.669298D+00
      6   0.222966D+00  0.129232D+02  0.117310D+02  0.674373D+00 -0.254442D-01
               201           202           203           204           205 
      1   0.390888D+01  0.167394D+02  0.384411D+01 -0.164819D+01  0.838334D+01
      2  -0.158993D+01 -0.566479D+01  0.921183D+01  0.206553D+01 -0.331171D+01
      3  -0.231895D+01 -0.110746D+02 -0.130559D+02 -0.417343D+00 -0.507163D+01
      4   0.117342D+01  0.179279D+02  0.413470D+02  0.696751D+01  0.212906D+01
      5   0.341151D+01 -0.323326D+00  0.675086D+01  0.791602D+01  0.570153D+01
      6   0.562546D+00 -0.517853D+00 -0.275949D+00  0.393572D+01  0.449832D+00
               206           207           208           209           210 
      1  -0.387614D+00  0.165703D+01  0.626268D+02 -0.151484D+02  0.166850D+02
      2   0.124370D+01 -0.153009D+01 -0.311589D+02  0.684720D+01 -0.872544D+01
      3  -0.856089D+00 -0.126940D+00 -0.314679D+02  0.830118D+01 -0.795959D+01
      4   0.822565D+01  0.474857D+01 -0.162156D+02  0.126554D+02 -0.453010D+01
      5   0.489636D+01  0.908346D+00  0.178378D+02 -0.462603D+01  0.153580D+02
      6   0.308585D+01  0.137093D+01 -0.370938D+00  0.366970D+00 -0.293523D+00
               211           212           213           214           215 
      1  -0.310722D+02  0.114374D+02 -0.649948D+01  0.323805D+02 -0.652340D+01
      2   0.145964D+02 -0.289355D+01  0.329872D+01 -0.168277D+02  0.321902D+01
      3   0.164758D+02 -0.854387D+01  0.320076D+01 -0.155528D+02  0.330437D+01
      4   0.171152D+02 -0.115577D+02  0.685713D+01 -0.811334D+01  0.982997D+01
      5  -0.806558D+01  0.667822D+01 -0.900214D+01  0.214448D+02 -0.606240D+01
      6   0.126608D+01 -0.122964D+01  0.182805D+01 -0.120049D+01  0.197854D+01
               216           217           218           219           220 
      1   0.148336D+02  0.176602D+02 -0.201202D+01 -0.103732D+02 -0.527053D+01
      2  -0.105234D+02 -0.122143D+02  0.105710D+01  0.827131D+01  0.323837D+01
      3  -0.431027D+01 -0.544587D+01  0.954920D+00  0.210188D+01  0.203217D+01
      4  -0.560038D+01 -0.136511D+01  0.415290D+01 -0.141486D+01  0.631310D+01
      5   0.123834D+02 -0.142716D+02 -0.983725D+00  0.186762D+02  0.274802D+00
      6  -0.169579D+01 -0.652509D+00 -0.111574D+01  0.934286D+00 -0.199474D+01
               221           222           223           224           225 
      1   0.217454D+01 -0.406477D+00 -0.239577D+02 -0.177554D+01  0.124151D+02
      2  -0.122414D+01 -0.103726D+00  0.185078D+02  0.104258D+01 -0.212641D+02
      3  -0.950396D+00  0.510202D+00  0.544991D+01  0.732960D+00  0.884906D+01
      4   0.175301D+01 -0.467563D+01 -0.236295D+01 -0.791105D+01  0.499134D-01
      5  -0.423198D+01 -0.222400D+01  0.315018D+02 -0.118365D+00 -0.473507D+02
      6   0.327659D+00  0.397733D+01  0.955680D+00  0.453699D+01 -0.269691D+01
               226           227           228           229           230 
      1  -0.143495D+02 -0.179720D+02  0.340640D-01 -0.132433D+02 -0.175523D+02
      2   0.142685D+02  0.220001D+02  0.697871D+00  0.139584D+02  0.248036D+02
      3   0.810280D-01 -0.402815D+01 -0.731935D+00 -0.715074D+00 -0.725134D+01
      4   0.916948D+01  0.859040D+00 -0.256619D+01  0.671814D+01 -0.781537D+00
      5   0.505808D+01  0.971340D+00 -0.630642D+00  0.213611D+01  0.251420D+01
      6  -0.390741D+00  0.407917D+01  0.442002D+01  0.170485D+01  0.194813D+01
               231           232           233           234           235 
      1  -0.328773D+00  0.218436D+01  0.449997D+00 -0.339127D+01  0.394732D+01
      2  -0.931080D+00 -0.163476D-01 -0.320480D+01  0.159553D+01 -0.220899D+01
      3   0.125985D+01 -0.216801D+01  0.275481D+01  0.179574D+01 -0.173834D+01
      4   0.742946D+00 -0.248363D+01  0.306518D+01 -0.411246D+00 -0.717140D+01
      5  -0.102434D+01  0.126777D+01 -0.146131D+01 -0.167802D+01 -0.772514D+01
      6   0.434554D+01  0.167454D+01  0.399452D+01  0.137769D+01  0.392817D+01
               236           237           238           239           240 
      1  -0.263355D+01 -0.338836D+01 -0.621047D+00 -0.214695D+01 -0.304010D+01
      2   0.229808D+00  0.479764D+01 -0.770414D+00  0.144887D+01  0.327285D+01
      3   0.240374D+01 -0.140928D+01  0.139146D+01  0.698072D+00 -0.232750D+00
      4   0.745841D+01  0.480986D+01  0.432638D+01 -0.253584D+01 -0.358455D+01
      5   0.316898D+01  0.117120D+02  0.406954D+00 -0.340142D+01 -0.248466D+01
      6  -0.216511D+01 -0.664795D+01 -0.131790D+01  0.372455D+01  0.772965D+01
               241           242           243           244           245 
      1  -0.486768D+01 -0.560484D+01 -0.889461D+01  0.240944D+02 -0.110540D+02
      2   0.616952D+01  0.505528D+01 -0.117277D+02  0.543382D+00 -0.892049D+01
      3  -0.130183D+01  0.549558D+00  0.206223D+02 -0.246378D+02  0.199745D+02
      4   0.869776D+01 -0.109218D+02 -0.131091D+02 -0.344946D+02  0.320168D+02
      5   0.156669D+02 -0.106232D+02 -0.334587D+02  0.517446D+01 -0.301775D+01
      6  -0.943425D+01  0.147991D+02  0.289039D+02 -0.487910D+01  0.340301D+01
               246           247           248           249           250 
      1   0.563920D+01 -0.876896D+01  0.244056D+01 -0.652595D+00  0.102403D+02
      2   0.728989D+00 -0.655148D+01  0.164805D+02 -0.419449D+01  0.708596D+00
      3  -0.636819D+01  0.153204D+02 -0.189211D+02  0.484708D+01 -0.109489D+02
      4  -0.782879D+01  0.242793D+02 -0.273948D+02  0.757334D+01 -0.161206D+02
      5   0.843602D+01 -0.219907D+01  0.474842D+01 -0.418602D+01  0.879911D+01
      6  -0.743632D+01  0.331887D+01 -0.474129D+01  0.559884D+01 -0.735206D+01
               251           252           253           254           255 
      1  -0.195178D+01  0.318791D+01 -0.714828D+01  0.127824D+02 -0.229110D+01
      2  -0.892780D+01 -0.181409D-01  0.322163D+01 -0.281652D+01  0.146465D+01
      3   0.108796D+02 -0.316977D+01  0.392665D+01 -0.996591D+01  0.826442D+00
      4   0.175749D+02 -0.101209D+02  0.158662D+02 -0.157812D+02 -0.743583D+00
      5  -0.697652D+01  0.537062D+01 -0.200910D+01 -0.538934D+00 -0.179437D+02
      6   0.757926D+01 -0.525202D+01  0.396475D+00 -0.332413D+00  0.219686D+01
               256           257           258           259           260 
      1  -0.600825D+01 -0.145564D+01 -0.205241D+01 -0.511060D+00 -0.604216D+00
      2   0.532462D+00 -0.109153D+02 -0.344692D-01  0.768761D-01  0.184167D+01
      3   0.547579D+01  0.123710D+02  0.208688D+01  0.434184D+00 -0.123745D+01
      4  -0.297337D+02 -0.418719D+02  0.232188D+01  0.258916D+01  0.382914D+01
      5   0.138066D+01  0.201905D+01 -0.109046D+02  0.757502D+01 -0.476076D+01
      6  -0.916344D+00  0.664424D+00 -0.919532D+01  0.987871D+00  0.448744D+01
               261           262           263           264           265 
      1  -0.105714D+01 -0.239570D+02 -0.344064D+02  0.350192D+01 -0.511616D+02
      2  -0.654695D+01  0.164853D+02  0.155560D+02 -0.225951D+01  0.243121D+02
      3   0.760409D+01  0.747166D+01  0.188504D+02 -0.124241D+01  0.268494D+02
      4  -0.441730D+01 -0.383804D+02  0.715563D+01  0.127734D+01 -0.571542D+01
      5   0.339308D+01  0.353361D+01  0.115850D+01  0.654832D+01  0.131353D+01
      6   0.202843D+01 -0.104096D+01 -0.494755D+00 -0.242302D+01 -0.568404D-01
               266           267           268           269           270 
      1  -0.423277D+01  0.211238D+01  0.558602D+01  0.195346D+01  0.468584D+01
      2   0.363672D+01 -0.342076D+01 -0.190040D+01 -0.395671D+01 -0.561365D+01
      3   0.596048D+00  0.130838D+01 -0.368562D+01  0.200325D+01  0.927808D+00
      4   0.188099D+02  0.335989D+01  0.154587D+01  0.427495D+01  0.346388D+02
      5   0.372586D+01  0.306382D+02 -0.770156D+01  0.367727D+02 -0.837572D+01
      6  -0.188123D+01 -0.973009D+01  0.561159D+01 -0.138788D+02  0.283746D+01
               271           272           273           274           275 
      1   0.169944D+02  0.108042D+02 -0.164859D+01  0.427418D+02 -0.104007D+02
      2  -0.575402D+01 -0.342908D+01  0.542874D+00 -0.135407D+02  0.327546D+02
      3  -0.112404D+02 -0.737509D+01  0.110571D+01 -0.292011D+02 -0.223539D+02
      4   0.175113D+02  0.214598D+02 -0.531743D+00  0.385420D+02  0.746339D+02
      5  -0.115913D+01 -0.501160D+00  0.101918D+02 -0.293246D+00 -0.294397D+01
      6  -0.320449D+00  0.187965D+00  0.396960D+00  0.940848D+00 -0.313320D+00
               276           277           278           279           280 
      1   0.187515D+01 -0.369452D+01  0.100531D+01  0.740751D-01  0.746154D+01
      2  -0.956424D+00  0.183736D+01 -0.143359D+01  0.848146D+00 -0.445555D+01
      3  -0.918728D+00  0.185716D+01  0.428279D+00 -0.922221D+00 -0.300599D+01
      4  -0.301498D+01 -0.164071D+01 -0.421408D+01  0.169050D+02 -0.164974D+01
      5   0.168030D+02  0.137353D+02  0.159067D+02 -0.437140D+01  0.641878D+01
      6   0.149846D+02  0.377661D+01  0.114273D+02 -0.206902D+01 -0.276463D+01
               281           282           283           284           285 
      1  -0.215956D+01  0.709751D+01 -0.896626D+01  0.605999D+00  0.163416D+01
      2   0.114522D+01 -0.322521D+01  0.339627D+01  0.451629D+01 -0.190071D+01
      3   0.101434D+01 -0.387230D+01  0.556999D+01 -0.512228D+01  0.266541D+00
      4   0.233479D+01 -0.303930D+01  0.145966D+02 -0.276763D+02  0.144680D+02
      5  -0.248423D+01  0.419736D+01 -0.656265D+01  0.149356D+02 -0.216543D+02
      6   0.113320D+00 -0.150370D+00  0.304980D+01 -0.878961D+01  0.104376D+02
               286           287           288           289           290 
      1   0.192242D+02 -0.356462D+00 -0.168623D+01  0.965144D+02  0.182822D+02
      2  -0.108500D+02 -0.860263D+00 -0.500063D+01 -0.513174D+02 -0.108279D+02
      3  -0.837422D+01  0.121672D+01  0.668685D+01 -0.451970D+02 -0.745429D+01
      4  -0.126471D+02  0.215301D+02 -0.224413D+02  0.131653D+02  0.149830D+02
      5   0.176383D+02 -0.239338D+02  0.401684D+02 -0.139164D+01 -0.314360D+00
      6  -0.542177D+01  0.123184D+02 -0.141668D+02  0.824189D+00  0.374091D+00
               291           292           293           294           295 
      1  -0.226028D+01  0.420148D+02  0.141742D+02 -0.808772D+00 -0.528346D+01
      2   0.115436D+01 -0.224011D+02 -0.670803D+01  0.626642D+00  0.276703D+01
      3   0.110592D+01 -0.196137D+02 -0.746620D+01  0.182130D+00  0.251643D+01
      4  -0.351002D+00  0.161408D+02  0.133500D+02 -0.954917D+00 -0.342418D+00
      5   0.137797D+02 -0.461987D+00 -0.868738D+00  0.460527D+01  0.134873D+02
      6  -0.789764D+00  0.405829D+00  0.396619D+00  0.180563D+01 -0.198974D+00
               296           297           298           299           300 
      1  -0.712567D+00  0.905311D+01  0.622509D+01 -0.298486D+01 -0.650123D+01
      2   0.762300D+00 -0.561244D+01 -0.280884D+01  0.172324D+01  0.292679D+01
      3  -0.497334D-01 -0.344067D+01 -0.341626D+01  0.126162D+01  0.357444D+01
      4  -0.153534D+01 -0.453614D+00 -0.176074D+01  0.183227D+01  0.226038D+01
      5  -0.123526D+00 -0.819567D+00 -0.540309D+01  0.156121D+01  0.201024D+01
      6   0.261963D+01 -0.176417D+00  0.279736D+01  0.360326D+00  0.341792D+00
               301           302           303           304           305 
      1  -0.112189D+02 -0.575253D+00 -0.283226D+01 -0.175842D+02 -0.752445D+00
      2   0.367696D+01  0.909946D+01  0.462826D+01  0.845061D+01  0.415982D+01
      3   0.754197D+01 -0.852421D+01 -0.179600D+01  0.913357D+01 -0.340738D+01
      4   0.164269D+02 -0.355102D+02 -0.158664D+02  0.114959D+02 -0.234942D+02
      5   0.509329D+01 -0.167379D+02 -0.216558D+02  0.132409D+02 -0.231898D+02
      6  -0.286025D+01  0.971204D+01  0.997684D+01 -0.465050D+01  0.118229D+02
               306 
      1  -0.204396D+01
      2  -0.666960D+00
      3   0.271092D+01
      4  -0.216200D+02
      5  -0.286937D+02
      6   0.113891D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.792518D+00      0.201438D+01      0.671925D+01
   x         -0.399882D+00     -0.101640D+01     -0.339034D+01
   y         -0.682884D+00     -0.173572D+01     -0.578973D+01
   z          0.429923D-01      0.109275D+00      0.364504D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139650D+03      0.206939D+02      0.230251D+02
   aniso      0.286901D+02      0.425143D+01      0.473036D+01
   xx         0.158276D+03      0.234541D+02      0.260962D+02
   yx        -0.240980D+01     -0.357096D+00     -0.397323D+00
   yy         0.133105D+03      0.197241D+02      0.219461D+02
   zx        -0.747736D+00     -0.110803D+00     -0.123285D+00
   zy        -0.361990D+00     -0.536414D-01     -0.596841D-01
   zz         0.127568D+03      0.189036D+02      0.210331D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.147460D+03      0.218513D+02      0.243129D+02
   aniso      0.309283D+02      0.458310D+01      0.509939D+01
   xx         0.167594D+03      0.248348D+02      0.276325D+02
   yx        -0.211197D+01     -0.312962D+00     -0.348217D+00
   yy         0.140485D+03      0.208178D+02      0.231629D+02
   zx        -0.774082D+00     -0.114707D+00     -0.127629D+00
   zy        -0.456713D+00     -0.676779D-01     -0.753018D-01
   zz         0.134301D+03      0.199013D+02      0.221432D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.34695539         -2.31069830          3.00693544
     6          0.03945243         -0.67474234          3.50351449
     6         -3.51318183         -1.05140682          0.65840305
     6         -1.76681862         -1.66169624         -1.58772636
     6          0.53733811          0.07168775         -1.10622672
     6         -0.05989549          1.37756853          1.42362544
     1         -3.63933844         -2.27305025          4.60982776
     1         -1.88515324         -4.28626128          2.64759821
     1          1.78335553         -1.75617724          3.39220290
     1         -0.01086082          0.20118038          5.36677333
     6         -2.97942034          1.79879542          1.12318670
     1         -5.49063769         -1.53145194          0.33654259
     1         -2.62723785         -1.25132595         -3.40940302
     1         -1.20422537         -3.64270666         -1.61150070
     1          0.76715778          1.44793784         -2.61387263
     8          2.90101757         -1.28117164         -0.91875038
     6          1.56922386          3.67089415          1.94901378
     6         -4.25097632          2.86656971          3.49082437
     6         -3.73912729          3.51006932         -1.08623449
     1          3.55697880          3.13338197          2.08104736
     1          1.04425832          4.56627264          3.73147236
     1          1.39916625          5.07814373          0.44897471
     1         -3.77933215          1.84906818          5.21222330
     1         -6.30279431          2.80858322          3.27245649
     1         -3.71932848          4.84102964          3.76701742
     1         -2.99857373          2.90837450         -2.90629655
     1         -3.09662191          5.44331854         -0.75827108
     1         -5.79583413          3.56853285         -1.24864692
     6          3.96889239         -2.01437686         -3.10785903
     6          6.42230969         -3.37242435         -2.63578167
     8          3.05601585         -1.62477918         -5.15752291
     1          7.70758109         -2.16007553         -1.57472492
     1          7.27041796         -3.90321399         -4.42796785
     1          6.07971368         -5.05539624         -1.49529810

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.792518D+00      0.201438D+01      0.671925D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.792518D+00      0.201438D+01      0.671925D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139650D+03      0.206939D+02      0.230251D+02
   aniso      0.286901D+02      0.425143D+01      0.473036D+01
   xx         0.147263D+03      0.218221D+02      0.242804D+02
   yx        -0.114901D+02     -0.170266D+01     -0.189447D+01
   yy         0.134209D+03      0.198878D+02      0.221281D+02
   zx        -0.838645D+01     -0.124274D+01     -0.138274D+01
   zy         0.508694D+01      0.753806D+00      0.838722D+00
   zz         0.137477D+03      0.203719D+02      0.226668D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.147460D+03      0.218513D+02      0.243129D+02
   aniso      0.309283D+02      0.458310D+01      0.509939D+01
   xx         0.155426D+03      0.230318D+02      0.256263D+02
   yx        -0.122522D+02     -0.181558D+01     -0.202011D+01
   yy         0.141337D+03      0.209439D+02      0.233033D+02
   zx        -0.922932D+01     -0.136764D+01     -0.152171D+01
   zy         0.560204D+01      0.830136D+00      0.923651D+00
   zz         0.145617D+03      0.215783D+02      0.240091D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-K11-27-01\Freq\RLC-PBEPBE\Gen\C12H20O2\PIERPA\17-Jul-2021
 \0\\#P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,
 Tight) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=02
 85000000,3/108=0285000000,3/119=1000000000,3/120=1000000000,3/130=-1,3
 /131=-1)\\ROA calculations.\\0,1\C,-1.240639,-1.220521,-1.593952\C,-0.
 772379,-1.711714,-0.196556\C,-1.356487,0.301932,-1.398559\C,0.077396,0
 .849484,-1.275021\C,0.495406,0.398364,0.144405\C,-0.70479,-0.420476,0.
 653009\H,-2.195583,-1.663465,-1.875848\H,-0.528201,-1.466626,-2.381766
 \H,0.193323,-2.210778,-0.227221\H,-1.481233,-2.413249,0.242895\C,-1.88
 835,0.419572,0.056917\H,-1.959508,0.80511,-2.154682\H,0.128882,1.93211
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 LET US PLACE AT THE END OF EVERY CHAPTER.....THE
 TWO LETTERS USED BY THE ROMAN JUDGES WHEN THEY DID
 NOT UNDERSTAND A PLEADING.
 N. L. -NON LIQUET- IT IS NOT CLEAR.
                                              -- VOLTAIRE
 Job cpu time:       2 days  1 hours 36 minutes 36.5 seconds.
 Elapsed time:       0 days  6 hours 13 minutes 26.2 seconds.
 File lengths (MBytes):  RWF=    684 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Sat Jul 17 01:27:33 2021.
